-
1
-
-
79952131874
-
Impact of high-throughput screening in biomedical research
-
Macarron, R.; Banks, M. N.; Bojanic, D.; Burns, D. J.; Cirovic, D. A.; Garyantes, T.; Green, D. V.; Hertzberg, R. P.; Janzen, W. P.; Paslay, J. W.; Schopfer, U.; Sittampalam, G. S. Impact of high-throughput screening in biomedical research. Nat. Rev. Drug Discovery 2011, 10 (3), 188-195, 10.1038/nrd3368
-
(2011)
Nat. Rev. Drug Discovery
, vol.10
, Issue.3
, pp. 188-195
-
-
MacArron, R.1
Banks, M.N.2
Bojanic, D.3
Burns, D.J.4
Cirovic, D.A.5
Garyantes, T.6
Green, D.V.7
Hertzberg, R.P.8
Janzen, W.P.9
Paslay, J.W.10
Schopfer, U.11
Sittampalam, G.S.12
-
2
-
-
0038387389
-
Hit and lead generation: Beyond high-throughput screening
-
Bleicher, K. H.; Bohm, H. J.; Muller, K.; Alanine, A. I. Hit and lead generation: beyond high-throughput screening. Nat. Rev. Drug Discovery 2003, 2 (5), 369-378, 10.1038/nrd1086
-
(2003)
Nat. Rev. Drug Discovery
, vol.2
, Issue.5
, pp. 369-378
-
-
Bleicher, K.H.1
Bohm, H.J.2
Muller, K.3
Alanine, A.I.4
-
3
-
-
19944405127
-
Components of successful lead generation
-
Davis, A.; Keeling, D.; Steele, J.; Tomkinson, N.; Tinker, A. Components of successful lead generation. Curr. Top. Med. Chem. 2005, 5 (4), 421-439, 10.2174/1568026053828411
-
(2005)
Curr. Top. Med. Chem.
, vol.5
, Issue.4
, pp. 421-439
-
-
Davis, A.1
Keeling, D.2
Steele, J.3
Tomkinson, N.4
Tinker, A.5
-
4
-
-
84934439985
-
An analysis of the attrition of drug candidates from four major pharmaceutical companies
-
Waring, M. J.; Arrowsmith, J.; Leach, A. R.; Leeson, P. D.; Mandrell, S.; Owen, R. M.; Pairaudeau, G.; Pennie, W. D.; Pickett, S. D.; Wang, J.; Wallace, O.; Weir, A. An analysis of the attrition of drug candidates from four major pharmaceutical companies. Nat. Rev. Drug Discovery 2015, 14 (7), 475-486, 10.1038/nrd4609
-
(2015)
Nat. Rev. Drug Discovery
, vol.14
, Issue.7
, pp. 475-486
-
-
Waring, M.J.1
Arrowsmith, J.2
Leach, A.R.3
Leeson, P.D.4
Mandrell, S.5
Owen, R.M.6
Pairaudeau, G.7
Pennie, W.D.8
Pickett, S.D.9
Wang, J.10
Wallace, O.11
Weir, A.12
-
5
-
-
0031024171
-
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
-
Lipinski, C. A.; Lombardo, F.; Dominy, B. W.; Feeney, P. J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Delivery Rev. 1997, 23, 3-25, 10.1016/S0169-409X(96)00423-1
-
(1997)
Adv. Drug Delivery Rev.
, vol.23
, pp. 3-25
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
6
-
-
0034461768
-
Druglike properties and the causes of poor solubility and poor permeability
-
Lipinski, C. A. Druglike properties and the causes of poor solubility and poor permeability. J. Pharmacol. Toxicol. Methods 2000, 44 (1), 235-249, 10.1016/S1056-8719(00)00107-6
-
(2000)
J. Pharmacol. Toxicol. Methods
, vol.44
, Issue.1
, pp. 235-249
-
-
Lipinski, C.A.1
-
7
-
-
36549024945
-
A sorcerer's apprentice and the rule of five: From rule-of-thumb to commandment and beyond
-
Abad-Zapatero, C. A sorcerer's apprentice and the rule of five: from rule-of-thumb to commandment and beyond. Drug Discovery Today 2007, 12 (23-24), 995-997, 10.1016/j.drudis.2007.10.022
-
(2007)
Drug Discovery Today
, vol.12
, Issue.2324
, pp. 995-997
-
-
Abad-Zapatero, C.1
-
8
-
-
84860690620
-
Can the flow of medicines be improved? Fundamental pharmacokinetic and pharmacological principles toward improving Phase II survival
-
Morgan, P.; Van Der Graaf, P. H.; Arrowsmith, J.; Feltner, D. E.; Drummond, K. S.; Wegner, C. D.; Street, S. D. Can the flow of medicines be improved? Fundamental pharmacokinetic and pharmacological principles toward improving Phase II survival. Drug Discovery Today 2012, 17 (9-10), 419-424, 10.1016/j.drudis.2011.12.020
-
(2012)
Drug Discovery Today
, vol.17
, Issue.910
, pp. 419-424
-
-
Morgan, P.1
Van Der Graaf, P.H.2
Arrowsmith, J.3
Feltner, D.E.4
Drummond, K.S.5
Wegner, C.D.6
Street, S.D.7
-
9
-
-
84901946024
-
Lessons learned from the fate of AstraZeneca's drug pipeline: A five-dimensional framework
-
Cook, D.; Brown, D.; Alexander, R.; March, R.; Morgan, P.; Satterthwaite, G.; Pangalos, M. N. Lessons learned from the fate of AstraZeneca's drug pipeline: a five-dimensional framework. Nat. Rev. Drug Discovery 2014, 13 (6), 419-431, 10.1038/nrd4309
-
(2014)
Nat. Rev. Drug Discovery
, vol.13
, Issue.6
, pp. 419-431
-
-
Cook, D.1
Brown, D.2
Alexander, R.3
March, R.4
Morgan, P.5
Satterthwaite, G.6
Pangalos, M.N.7
-
10
-
-
84991690464
-
Quality guidelines for oral drug candidates: Dose, solubility and lipophilicity
-
Bayliss, M. K.; Butler, J.; Feldman, P. L.; Green, D. V.; Leeson, P. D.; Palovich, M. R.; Taylor, A. J. Quality guidelines for oral drug candidates: dose, solubility and lipophilicity. Drug Discovery Today 2016, 21 (10), 1719-1727, 10.1016/j.drudis.2016.07.007
-
(2016)
Drug Discovery Today
, vol.21
, Issue.10
, pp. 1719-1727
-
-
Bayliss, M.K.1
Butler, J.2
Feldman, P.L.3
Green, D.V.4
Leeson, P.D.5
Palovich, M.R.6
Taylor, A.J.7
-
11
-
-
85042683256
-
Impact of a five-dimensional framework on R&D productivity at AstraZeneca
-
Morgan, P.; Brown, D. G.; Lennard, S.; Anderton, M. J.; Barrett, J. C.; Eriksson, U.; Fidock, M.; Hamren, B.; Johnson, A.; March, R. E.; Matcham, J.; Mettetal, J.; Nicholls, D. J.; Platz, S.; Rees, S.; Snowden, M. A.; Pangalos, M. N. Impact of a five-dimensional framework on R&D productivity at AstraZeneca. Nat. Rev. Drug Discovery 2018, 17 (3), 167-181, 10.1038/nrd.2017.244
-
(2018)
Nat. Rev. Drug Discovery
, vol.17
, Issue.3
, pp. 167-181
-
-
Morgan, P.1
Brown, D.G.2
Lennard, S.3
Anderton, M.J.4
Barrett, J.C.5
Eriksson, U.6
Fidock, M.7
Hamren, B.8
Johnson, A.9
March, R.E.10
Matcham, J.11
Mettetal, J.12
Nicholls, D.J.13
Platz, S.14
Rees, S.15
Snowden, M.A.16
Pangalos, M.N.17
-
12
-
-
77950635141
-
On the connection between chemical constitution and physiological action; With special reference to the physiological action of the salts of the ammonium bases derived from Strychnia, Brucia, Thebaia, Codeia, Morphia, and Nicotia
-
Brown, A. C.; Fraser, T. R. On the connection between chemical constitution and physiological action; with special reference to the physiological action of the salts of the ammonium bases derived from Strychnia, Brucia, Thebaia, Codeia, Morphia, and Nicotia. J. Anat. Physiol. 1868, 2 (2), 224-242
-
(1868)
J. Anat. Physiol.
, vol.2
, Issue.2
, pp. 224-242
-
-
Brown, A.C.1
Fraser, T.R.2
-
13
-
-
80052974259
-
Improving drug candidates by design: A focus on physicochemical properties as a means of improving compound disposition and safety
-
Meanwell, N. A. Improving drug candidates by design: a focus on physicochemical properties as a means of improving compound disposition and safety. Chem. Res. Toxicol. 2011, 24 (9), 1420-1456, 10.1021/tx200211v
-
(2011)
Chem. Res. Toxicol.
, vol.24
, Issue.9
, pp. 1420-1456
-
-
Meanwell, N.A.1
-
14
-
-
84916230872
-
Physical properties in drug design
-
Springer Berlin Heidelberg: Berlin
-
Young, R. J. Physical properties in drug design. In Tactics in Contemporary Drug Design; Meanwell, N. A., Ed.; Springer Berlin Heidelberg: Berlin, 2014; pp 1-68.
-
(2014)
Tactics in Contemporary Drug Design
, pp. 1-68
-
-
Young, R.J.1
Meanwell, N.A.2
-
15
-
-
79952171625
-
Probing the links between in vitro potency, ADMET and physicochemical parameters
-
Gleeson, M. P.; Hersey, A.; Montanari, D.; Overington, J. Probing the links between in vitro potency, ADMET and physicochemical parameters. Nat. Rev. Drug Discovery 2011, 10 (3), 197-208, 10.1038/nrd3367
-
(2011)
Nat. Rev. Drug Discovery
, vol.10
, Issue.3
, pp. 197-208
-
-
Gleeson, M.P.1
Hersey, A.2
Montanari, D.3
Overington, J.4
-
16
-
-
39749181550
-
Generation of a set of simple, interpretable ADMET rules of thumb
-
Gleeson, M. P. Generation of a set of simple, interpretable ADMET rules of thumb. J. Med. Chem. 2008, 51 (4), 817-834, 10.1021/jm701122q
-
(2008)
J. Med. Chem.
, vol.51
, Issue.4
, pp. 817-834
-
-
Gleeson, M.P.1
-
17
-
-
84976259962
-
Physicochemical properties and compound quality
-
The Royal Society of Chemistry
-
Gleeson, M. P.; Leeson, P. D.; Waterbeemd, H. v. d. Physicochemical properties and compound quality. In The Handbook of Medicinal Chemistry: Principles and Practice; Davis, A., Ward, S. E., Eds.; The Royal Society of Chemistry, 2015; pp 1-31.
-
(2015)
The Handbook of Medicinal Chemistry: Principles and Practice
, pp. 1-31
-
-
Gleeson, M.P.1
Leeson, P.D.2
Davis, A.3
Ward, S.E.4
-
18
-
-
84964692636
-
Improving drug design: An update on recent applications of efficiency metrics, strategies for replacing problematic elements, and compounds in nontraditional drug space
-
Meanwell, N. A. Improving drug design: an update on recent applications of efficiency metrics, strategies for replacing problematic elements, and compounds in nontraditional drug space. Chem. Res. Toxicol. 2016, 29 (4), 564-616, 10.1021/acs.chemrestox.6b00043
-
(2016)
Chem. Res. Toxicol.
, vol.29
, Issue.4
, pp. 564-616
-
-
Meanwell, N.A.1
-
19
-
-
0023546523
-
Hydrophobicity and central nervous system agents: On the principle of minimal hydrophobicity in drug design
-
Hansch, C.; Bjorkroth, J. P.; Leo, A. Hydrophobicity and central nervous system agents: on the principle of minimal hydrophobicity in drug design. J. Pharm. Sci. 1987, 76 (9), 663-687, 10.1002/jps.2600760902
-
(1987)
J. Pharm. Sci.
, vol.76
, Issue.9
, pp. 663-687
-
-
Hansch, C.1
Bjorkroth, J.P.2
Leo, A.3
-
20
-
-
0033576601
-
The design of leadlike combinatorial libraries
-
Teague, S. J.; Davis, A. M.; Leeson, P. D.; Oprea, T. The design of leadlike combinatorial libraries. Angew. Chem., Int. Ed. 1999, 38 (24), 3743-3748, 10.1002/(SICI)1521-3773(19991216)38:24<3743::AID-ANIE3743>3.0.CO;2-U
-
(1999)
Angew. Chem., Int. Ed.
, vol.38
, Issue.24
, pp. 3743-3748
-
-
Teague, S.J.1
Davis, A.M.2
Leeson, P.D.3
Oprea, T.4
-
21
-
-
2942564021
-
Pursuing the leadlikeness concept in pharmaceutical research
-
Hann, M. M.; Oprea, T. I. Pursuing the leadlikeness concept in pharmaceutical research. Curr. Opin. Chem. Biol. 2004, 8 (3), 255-263, 10.1016/j.cbpa.2004.04.003
-
(2004)
Curr. Opin. Chem. Biol.
, vol.8
, Issue.3
, pp. 255-263
-
-
Hann, M.M.1
Oprea, T.I.2
-
22
-
-
0035324944
-
Molecular complexity and its impact on the probability of finding leads for drug discovery
-
Hann, M. M.; Leach, A. R.; Harper, G. Molecular complexity and its impact on the probability of finding leads for drug discovery. J. Chem. Inf. Comput. Sci. 2001, 41 (3), 856-864, 10.1021/ci000403i
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, Issue.3
, pp. 856-864
-
-
Hann, M.M.1
Leach, A.R.2
Harper, G.3
-
23
-
-
79960997906
-
Molecular complexity and fragment-based drug discovery: Ten years on
-
Leach, A. R.; Hann, M. M. Molecular complexity and fragment-based drug discovery: ten years on. Curr. Opin. Chem. Biol. 2011, 15 (4), 489-496, 10.1016/j.cbpa.2011.05.008
-
(2011)
Curr. Opin. Chem. Biol.
, vol.15
, Issue.4
, pp. 489-496
-
-
Leach, A.R.1
Hann, M.M.2
-
24
-
-
0141726877
-
A â€Rule of three' for fragment-based lead discovery?
-
Congreve, M.; Carr, R.; Murray, C.; Jhoti, H. A â€Rule of three' for fragment-based lead discovery?. Drug Discovery Today 2003, 8 (19), 876-877, 10.1016/S1359-6446(03)02831-9
-
(2003)
Drug Discovery Today
, vol.8
, Issue.19
, pp. 876-877
-
-
Congreve, M.1
Carr, R.2
Murray, C.3
Jhoti, H.4
-
25
-
-
84902499723
-
Validity of ligand efficiency metrics
-
Murray, C. W.; Erlanson, D. A.; Hopkins, A. L.; Keseru, G. M.; Leeson, P. D.; Rees, D. C.; Reynolds, C. H.; Richmond, N. J. Validity of ligand efficiency metrics. ACS Med. Chem. Lett. 2014, 5 (6), 616-618, 10.1021/ml500146d
-
(2014)
ACS Med. Chem. Lett.
, vol.5
, Issue.6
, pp. 616-618
-
-
Murray, C.W.1
Erlanson, D.A.2
Hopkins, A.L.3
Keseru, G.M.4
Leeson, P.D.5
Rees, D.C.6
Reynolds, C.H.7
Richmond, N.J.8
-
26
-
-
84893307473
-
The role of ligand efficiency metrics in drug discovery
-
Hopkins, A. L.; Keseru, G. M.; Leeson, P. D.; Rees, D. C.; Reynolds, C. H. The role of ligand efficiency metrics in drug discovery. Nat. Rev. Drug Discovery 2014, 13 (2), 105-121, 10.1038/nrd4163
-
(2014)
Nat. Rev. Drug Discovery
, vol.13
, Issue.2
, pp. 105-121
-
-
Hopkins, A.L.1
Keseru, G.M.2
Leeson, P.D.3
Rees, D.C.4
Reynolds, C.H.5
-
27
-
-
84866357133
-
In vitro measurement of drug efficiency index to aid early lead optimization
-
Valko, K.; Chiarparin, E.; Nunhuck, S.; Montanari, D. In vitro measurement of drug efficiency index to aid early lead optimization. J. Pharm. Sci. 2012, 101 (11), 4155-4169, 10.1002/jps.23305
-
(2012)
J. Pharm. Sci.
, vol.101
, Issue.11
, pp. 4155-4169
-
-
Valko, K.1
Chiarparin, E.2
Nunhuck, S.3
Montanari, D.4
-
28
-
-
84874464077
-
Escape from flatland 2: Complexity and promiscuity
-
Lovering, F. Escape from flatland 2: complexity and promiscuity. MedChemComm 2013, 4 (3), 515-519, 10.1039/c2md20347b
-
(2013)
MedChemComm
, vol.4
, Issue.3
, pp. 515-519
-
-
Lovering, F.1
-
29
-
-
71049126548
-
Escape from flatland: Increasing saturation as an approach to improving clinical success
-
Lovering, F.; Bikker, J.; Humblet, C. Escape from flatland: increasing saturation as an approach to improving clinical success. J. Med. Chem. 2009, 52, 6752-6756, 10.1021/jm901241e
-
(2009)
J. Med. Chem.
, vol.52
, pp. 6752-6756
-
-
Lovering, F.1
Bikker, J.2
Humblet, C.3
-
30
-
-
70350409235
-
The impact of aromatic ring count on compound developability - Are too many aromatic rings a liability in drug design?
-
Ritchie, T. J.; Macdonald, S. J. The impact of aromatic ring count on compound developability-Are too many aromatic rings a liability in drug design?. Drug Discovery Today 2009, 14 (21-22), 1011-1020, 10.1016/j.drudis.2009.07.014
-
(2009)
Drug Discovery Today
, vol.14
, Issue.2122
, pp. 1011-1020
-
-
Ritchie, T.J.1
MacDonald, S.J.2
-
31
-
-
79851514554
-
The impact of aromatic ring count on compound developability: Further insights by examining carbo-and hetero-aromatic and-aliphatic ring types
-
Ritchie, T. J.; Macdonald, S. J.; Young, R. J.; Pickett, S. D. The impact of aromatic ring count on compound developability: further insights by examining carbo-and hetero-aromatic and-aliphatic ring types. Drug Discovery Today 2011, 16 (3), 164-171, 10.1016/j.drudis.2010.11.014
-
(2011)
Drug Discovery Today
, vol.16
, Issue.3
, pp. 164-171
-
-
Ritchie, T.J.1
MacDonald, S.J.2
Young, R.J.3
Pickett, S.D.4
-
32
-
-
84907168648
-
Physicochemical descriptors of aromatic character and their use in drug discovery
-
Ritchie, T. J.; Macdonald, S. J. Physicochemical descriptors of aromatic character and their use in drug discovery. J. Med. Chem. 2014, 57 (17), 7206-7215, 10.1021/jm500515d
-
(2014)
J. Med. Chem.
, vol.57
, Issue.17
, pp. 7206-7215
-
-
Ritchie, T.J.1
MacDonald, S.J.2
-
33
-
-
65449179589
-
Defining optimum lipophilicity and molecular weight ranges for drug candidates - Molecular weight dependent lower logD limits based on permeability
-
Waring, M. J. Defining optimum lipophilicity and molecular weight ranges for drug candidates-molecular weight dependent lower logD limits based on permeability. Bioorg. Med. Chem. Lett. 2009, 19, 2844-2851, 10.1016/j.bmcl.2009.03.109
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, pp. 2844-2851
-
-
Waring, M.J.1
-
34
-
-
69949109727
-
Using the golden triangle to optimize clearance and oral absorption
-
Johnson, T. W.; Dress, K. R.; Edwards, M. Using the golden triangle to optimize clearance and oral absorption. Bioorg. Med. Chem. Lett. 2009, 19 (19), 5560-5564, 10.1016/j.bmcl.2009.08.045
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, Issue.19
, pp. 5560-5564
-
-
Johnson, T.W.1
Dress, K.R.2
Edwards, M.3
-
35
-
-
84860456763
-
Enantiomeric pairs reveal that key medicinal chemistry parameters vary more than simple physical property based models can explain
-
Leach, A. G.; Pilling, E. A.; Rabow, A. A.; Tomasi, S.; Asaad, N.; Buurma, N. J.; Ballard, A.; Narduolo, S. Enantiomeric pairs reveal that key medicinal chemistry parameters vary more than simple physical property based models can explain. MedChemComm 2012, 3 (5), 528-540, 10.1039/c2md20010d
-
(2012)
MedChemComm
, vol.3
, Issue.5
, pp. 528-540
-
-
Leach, A.G.1
Pilling, E.A.2
Rabow, A.A.3
Tomasi, S.4
Asaad, N.5
Buurma, N.J.6
Ballard, A.7
Narduolo, S.8
-
36
-
-
77749315417
-
Lipophilicity in drug discovery
-
Waring, M. J. Lipophilicity in drug discovery. Expert Opin. Drug Discovery 2010, 5 (3), 235-248, 10.1517/17460441003605098
-
(2010)
Expert Opin. Drug Discovery
, vol.5
, Issue.3
, pp. 235-248
-
-
Waring, M.J.1
-
37
-
-
84918564366
-
Acidic and basic drugs in medicinal chemistry: A perspective
-
Charifson, P. S.; Walters, W. P. Acidic and basic drugs in medicinal chemistry: a perspective. J. Med. Chem. 2014, 57 (23), 9701-9717, 10.1021/jm501000a
-
(2014)
J. Med. Chem.
, vol.57
, Issue.23
, pp. 9701-9717
-
-
Charifson, P.S.1
Walters, W.P.2
-
38
-
-
35748934487
-
The influence of druglike concepts on decision-making in medicinal chemistry
-
Leeson, P. D.; Springthorpe, B. The influence of druglike concepts on decision-making in medicinal chemistry. Nat. Rev. Drug Discovery 2007, 6 (11), 881-890, 10.1038/nrd2445
-
(2007)
Nat. Rev. Drug Discovery
, vol.6
, Issue.11
, pp. 881-890
-
-
Leeson, P.D.1
Springthorpe, B.2
-
39
-
-
84963813272
-
Molecular inflation, attrition and the rule of five
-
Leeson, P. D. Molecular inflation, attrition and the rule of five. Adv. Drug Delivery Rev. 2016, 101 (Suppl. C), 22-33, 10.1016/j.addr.2016.01.018
-
(2016)
Adv. Drug Delivery Rev.
, vol.101
, pp. 22-33
-
-
Leeson, P.D.1
-
40
-
-
84978474564
-
Twenty years on: The impact of fragments on drug discovery
-
Erlanson, D. A.; Fesik, S. W.; Hubbard, R. E.; Jahnke, W.; Jhoti, H. Twenty years on: the impact of fragments on drug discovery. Nat. Rev. Drug Discovery 2016, 15 (9), 605-619, 10.1038/nrd.2016.109
-
(2016)
Nat. Rev. Drug Discovery
, vol.15
, Issue.9
, pp. 605-619
-
-
Erlanson, D.A.1
Fesik, S.W.2
Hubbard, R.E.3
Jahnke, W.4
Jhoti, H.5
-
41
-
-
85001785633
-
DNA-encoded chemistry: Enabling the deeper sampling of chemical space
-
Goodnow, R. A., Jr.; Dumelin, C. E.; Keefe, A. D. DNA-encoded chemistry: enabling the deeper sampling of chemical space. Nat. Rev. Drug Discovery 2017, 16 (2), 131-147, 10.1038/nrd.2016.213
-
(2017)
Nat. Rev. Drug Discovery
, vol.16
, Issue.2
, pp. 131-147
-
-
Goodnow, R.A.1
Dumelin, C.E.2
Keefe, A.D.3
-
42
-
-
0035438391
-
Is There a difference between leads and drugs? A historical perspective
-
Oprea, T. I.; Davis, A. M.; Teague, S. J.; Leeson, P. D. Is There a difference between leads and drugs? A historical perspective. J. Chem. Inf. Comput. Sci. 2001, 41 (5), 1308-1315, 10.1021/ci010366a
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, Issue.5
, pp. 1308-1315
-
-
Oprea, T.I.1
Davis, A.M.2
Teague, S.J.3
Leeson, P.D.4
-
43
-
-
77950560159
-
An analysis of the binding efficiencies of drugs and their leads in successful drug discovery programs
-
Perola, E. An analysis of the binding efficiencies of drugs and their leads in successful drug discovery programs. J. Med. Chem. 2010, 53 (7), 2986-2997, 10.1021/jm100118x
-
(2010)
J. Med. Chem.
, vol.53
, Issue.7
, pp. 2986-2997
-
-
Perola, E.1
-
44
-
-
80051672475
-
Follow-on drugs: How far should chemists look?
-
Giordanetto, F.; Bostrom, J.; Tyrchan, C. Follow-on drugs: how far should chemists look?. Drug Discovery Today 2011, 16 (15-16), 722-732, 10.1016/j.drudis.2011.05.011
-
(2011)
Drug Discovery Today
, vol.16
, Issue.1516
, pp. 722-732
-
-
Giordanetto, F.1
Bostrom, J.2
Tyrchan, C.3
-
45
-
-
33646715920
-
The influence of target family and functional activity on the physicochemical properties of pre-clinical compounds
-
Morphy, R. The influence of target family and functional activity on the physicochemical properties of pre-clinical compounds. J. Med. Chem. 2006, 49 (10), 2969-2978, 10.1021/jm0512185
-
(2006)
J. Med. Chem.
, vol.49
, Issue.10
, pp. 2969-2978
-
-
Morphy, R.1
-
46
-
-
61649109015
-
The influence of lead discovery strategies on the properties of drug candidates
-
Keseru, G. M.; Makara, G. M. The influence of lead discovery strategies on the properties of drug candidates. Nat. Rev. Drug Discovery 2009, 8 (3), 203-212, 10.1038/nrd2796
-
(2009)
Nat. Rev. Drug Discovery
, vol.8
, Issue.3
, pp. 203-212
-
-
Keseru, G.M.1
Makara, G.M.2
-
47
-
-
84938495908
-
Molecular property design: Does everyone get it?
-
Leeson, P. D.; Young, R. J. Molecular property design: does everyone get it?. ACS Med. Chem. Lett. 2015, 6 (7), 722-725, 10.1021/acsmedchemlett.5b00157
-
(2015)
ACS Med. Chem. Lett.
, vol.6
, Issue.7
, pp. 722-725
-
-
Leeson, P.D.1
Young, R.J.2
-
48
-
-
80053471789
-
The influence of the "organizational factor" on compound quality in drug discovery
-
Leeson, P. D.; St-Gallay, S. A. The influence of the "organizational factor" on compound quality in drug discovery. Nat. Rev. Drug Discovery 2011, 10, 749-765, 10.1038/nrd3552
-
(2011)
Nat. Rev. Drug Discovery
, vol.10
, pp. 749-765
-
-
Leeson, P.D.1
St-Gallay, S.A.2
-
49
-
-
84874414338
-
Fragment-based lead discovery grows up
-
Baker, M. Fragment-based lead discovery grows up. Nat. Rev. Drug Discovery 2013, 12 (1), 5-7, 10.1038/nrd3926
-
(2013)
Nat. Rev. Drug Discovery
, vol.12
, Issue.1
, pp. 5-7
-
-
Baker, M.1
-
50
-
-
84924038029
-
Efficient exploration of chemical space by fragment-based screening
-
Hall, R. J.; Mortenson, P. N.; Murray, C. W. Efficient exploration of chemical space by fragment-based screening. Prog. Biophys. Mol. Biol. 2014, 116 (2-3), 82-91, 10.1016/j.pbiomolbio.2014.09.007
-
(2014)
Prog. Biophys. Mol. Biol.
, vol.116
, Issue.23
, pp. 82-91
-
-
Hall, R.J.1
Mortenson, P.N.2
Murray, C.W.3
-
51
-
-
84925393362
-
The chemical space project
-
Reymond, J. L. The chemical space project. Acc. Chem. Res. 2015, 48 (3), 722-730, 10.1021/ar500432k
-
(2015)
Acc. Chem. Res.
, vol.48
, Issue.3
, pp. 722-730
-
-
Reymond, J.L.1
-
52
-
-
12344318177
-
Fragment-based lead discovery using X-ray crystallography
-
Hartshorn, M. J.; Murray, C. W.; Cleasby, A.; Frederickson, M.; Tickle, I. J.; Jhoti, H. Fragment-based lead discovery using X-ray crystallography. J. Med. Chem. 2005, 48 (2), 403-413, 10.1021/jm0495778
-
(2005)
J. Med. Chem.
, vol.48
, Issue.2
, pp. 403-413
-
-
Hartshorn, M.J.1
Murray, C.W.2
Cleasby, A.3
Frederickson, M.4
Tickle, I.J.5
Jhoti, H.6
-
53
-
-
84875727654
-
How are fragments optimized? A retrospective analysis of 145 fragment optimizations
-
Ferenczy, G. G.; Keseru, G. M. How are fragments optimized? A retrospective analysis of 145 fragment optimizations. J. Med. Chem. 2013, 56 (6), 2478-2486, 10.1021/jm301851v
-
(2013)
J. Med. Chem.
, vol.56
, Issue.6
, pp. 2478-2486
-
-
Ferenczy, G.G.1
Keseru, G.M.2
-
54
-
-
77957229353
-
Thermodynamics guided lead discovery and optimization
-
Ferenczy, G. G.; Keseru, G. M. Thermodynamics guided lead discovery and optimization. Drug Discovery Today 2010, 15 (21-22), 919-932, 10.1016/j.drudis.2010.08.013
-
(2010)
Drug Discovery Today
, vol.15
, Issue.2122
, pp. 919-932
-
-
Ferenczy, G.G.1
Keseru, G.M.2
-
55
-
-
70349731747
-
A thermodynamic approach to the affinity optimization of drug candidates
-
Freire, E. A thermodynamic approach to the affinity optimization of drug candidates. Chem. Biol. Drug Des. 2009, 74 (5), 468-472, 10.1111/j.1747-0285.2009.00880.x
-
(2009)
Chem. Biol. Drug Des.
, vol.74
, Issue.5
, pp. 468-472
-
-
Freire, E.1
-
56
-
-
56549131177
-
The thermodynamics of protein-ligand interaction and solvation: Insights for ligand design
-
Olsson, T. S.; Williams, M. A.; Pitt, W. R.; Ladbury, J. E. The thermodynamics of protein-ligand interaction and solvation: insights for ligand design. J. Mol. Biol. 2008, 384 (4), 1002-1017, 10.1016/j.jmb.2008.09.073
-
(2008)
J. Mol. Biol.
, vol.384
, Issue.4
, pp. 1002-1017
-
-
Olsson, T.S.1
Williams, M.A.2
Pitt, W.R.3
Ladbury, J.E.4
-
57
-
-
84979943840
-
Chemical space of DNA-encoded libraries
-
Franzini, R. M.; Randolph, C. Chemical space of DNA-encoded libraries. J. Med. Chem. 2016, 59 (14), 6629-6644, 10.1021/acs.jmedchem.5b01874
-
(2016)
J. Med. Chem.
, vol.59
, Issue.14
, pp. 6629-6644
-
-
Franzini, R.M.1
Randolph, C.2
-
58
-
-
85007228226
-
No denying it: Medicinal chemistry training is in big trouble
-
Rafferty, M. F. No denying it: medicinal chemistry training is in big trouble. J. Med. Chem. 2016, 59 (24), 10859-10864, 10.1021/acs.jmedchem.6b00741
-
(2016)
J. Med. Chem.
, vol.59
, Issue.24
, pp. 10859-10864
-
-
Rafferty, M.F.1
-
59
-
-
9744232909
-
Time-related differences in the physical property profiles of oral drugs
-
Leeson, P. D.; Davis, A. M. Time-related differences in the physical property profiles of oral drugs. J. Med. Chem. 2004, 47 (25), 6338-6348, 10.1021/jm049717d
-
(2004)
J. Med. Chem.
, vol.47
, Issue.25
, pp. 6338-6348
-
-
Leeson, P.D.1
Davis, A.M.2
-
60
-
-
79851508525
-
Impact of ion class and time on oral drug molecular properties
-
Leeson, P. D.; St-Gallay, S. A.; Wenlock, M. C. Impact of ion class and time on oral drug molecular properties. MedChemComm 2011, 2, 91-105, 10.1039/C0MD00157K
-
(2011)
MedChemComm
, vol.2
, pp. 91-105
-
-
Leeson, P.D.1
St-Gallay, S.A.2
Wenlock, M.C.3
-
61
-
-
79955613841
-
Molecular obesity, potency and other addictions in drug discovery
-
Hann, M. M. Molecular obesity, potency and other addictions in drug discovery. MedChemComm 2011, 2, 349-355, 10.1039/c1md00017a
-
(2011)
MedChemComm
, vol.2
, pp. 349-355
-
-
Hann, M.M.1
-
62
-
-
84860359784
-
Finding the sweet spot: The role of nature and nurture in medicinal chemistry
-
Hann, M. M.; Keseru, G. M. Finding the sweet spot: the role of nature and nurture in medicinal chemistry. Nat. Rev. Drug Discovery 2012, 11 (5), 355-365, 10.1038/nrd3701
-
(2012)
Nat. Rev. Drug Discovery
, vol.11
, Issue.5
, pp. 355-365
-
-
Hann, M.M.1
Keseru, G.M.2
-
63
-
-
84969617464
-
Analysis of past and present synthetic methodologies on medicinal chemistry: Where have all the new reactions gone?
-
Brown, D. G.; Bostrom, J. Analysis of past and present synthetic methodologies on medicinal chemistry: where have all the new reactions gone?. J. Med. Chem. 2016, 59 (10), 4443-4458, 10.1021/acs.jmedchem.5b01409
-
(2016)
J. Med. Chem.
, vol.59
, Issue.10
, pp. 4443-4458
-
-
Brown, D.G.1
Bostrom, J.2
-
64
-
-
34447548576
-
Ligand efficiency indices for effective drug discovery
-
Abad-Zapatero, C. Ligand efficiency indices for effective drug discovery. Expert Opin. Drug Discovery 2007, 2 (4), 469-488, 10.1517/17460441.2.4.469
-
(2007)
Expert Opin. Drug Discovery
, vol.2
, Issue.4
, pp. 469-488
-
-
Abad-Zapatero, C.1
-
65
-
-
1942453243
-
Ligand efficiency: A useful metric for lead selection
-
Hopkins, A. L.; Groom, C. R.; Alex, A. Ligand efficiency: a useful metric for lead selection. Drug Discovery Today 2004, 9 (10), 430-431, 10.1016/S1359-6446(04)03069-7
-
(2004)
Drug Discovery Today
, vol.9
, Issue.10
, pp. 430-431
-
-
Hopkins, A.L.1
Groom, C.R.2
Alex, A.3
-
66
-
-
84904389204
-
Ligand efficiency metrics considered harmful
-
Kenny, P. W.; Leitao, A.; Montanari, C. A. Ligand efficiency metrics considered harmful. J. Comput.-Aided Mol. Des. 2014, 28 (7), 699-710, 10.1007/s10822-014-9757-8
-
(2014)
J. Comput.-Aided Mol. Des.
, vol.28
, Issue.7
, pp. 699-710
-
-
Kenny, P.W.1
Leitao, A.2
Montanari, C.A.3
-
67
-
-
84885172160
-
Setting expectations in molecular optimizations: Strengths and limitations of commonly used composite parameters
-
Shultz, M. D. Setting expectations in molecular optimizations: strengths and limitations of commonly used composite parameters. Bioorg. Med. Chem. Lett. 2013, 23, 5980-5991, 10.1016/j.bmcl.2013.08.029
-
(2013)
Bioorg. Med. Chem. Lett.
, vol.23
, pp. 5980-5991
-
-
Shultz, M.D.1
-
68
-
-
84892596742
-
Improving the plausibility of success with inefficient metrics
-
Shultz, M. D. Improving the plausibility of success with inefficient metrics. ACS Med. Chem. Lett. 2014, 5 (1), 2-5, 10.1021/ml4004638
-
(2014)
ACS Med. Chem. Lett.
, vol.5
, Issue.1
, pp. 2-5
-
-
Shultz, M.D.1
-
69
-
-
80051799265
-
Assessing the lipophilicity of fragments and early hits
-
Mortenson, P. N.; Murray, C. W. Assessing the lipophilicity of fragments and early hits. J. Comput.-Aided Mol. Des. 2011, 25 (7), 663-667, 10.1007/s10822-011-9435-z
-
(2011)
J. Comput.-Aided Mol. Des.
, vol.25
, Issue.7
, pp. 663-667
-
-
Mortenson, P.N.1
Murray, C.W.2
-
70
-
-
85039993856
-
Group additivity in ligand binding affinity: An alternative approach to ligand efficiency
-
Reynolds, C. H.; Reynolds, R. C. Group additivity in ligand binding affinity: an alternative approach to ligand efficiency. J. Chem. Inf. Model. 2017, 57 (12), 3086-3093, 10.1021/acs.jcim.7b00381
-
(2017)
J. Chem. Inf. Model.
, vol.57
, Issue.12
, pp. 3086-3093
-
-
Reynolds, C.H.1
Reynolds, R.C.2
-
71
-
-
84885190072
-
The thermodynamic basis for the use of lipophilic efficiency (LipE) in enthalpic optimizations
-
Shultz, M. D. The thermodynamic basis for the use of lipophilic efficiency (LipE) in enthalpic optimizations. Bioorg. Med. Chem. Lett. 2013, 23, 5992-6000, 10.1016/j.bmcl.2013.08.030
-
(2013)
Bioorg. Med. Chem. Lett.
, vol.23
, pp. 5992-6000
-
-
Shultz, M.D.1
-
72
-
-
84856846240
-
Impact of lipophilic efficiency on compound quality
-
Tarcsay, A.; Nyiri, K.; Keseru, G. M. Impact of lipophilic efficiency on compound quality. J. Med. Chem. 2012, 55 (3), 1252-1260, 10.1021/jm201388p
-
(2012)
J. Med. Chem.
, vol.55
, Issue.3
, pp. 1252-1260
-
-
Tarcsay, A.1
Nyiri, K.2
Keseru, G.M.3
-
73
-
-
84873295517
-
Lipophilic efficiency: The most important efficiency metric in medicinal chemistry
-
Freeman-Cook, K. D.; Hoffman, R. L.; Johnson, T. W. Lipophilic efficiency: the most important efficiency metric in medicinal chemistry. Future Med. Chem. 2013, 5, 113-115, 10.4155/fmc.12.208
-
(2013)
Future Med. Chem.
, vol.5
, pp. 113-115
-
-
Freeman-Cook, K.D.1
Hoffman, R.L.2
Johnson, T.W.3
-
74
-
-
85007550961
-
Binding thermodynamics discriminates fragments from druglike compounds: A thermodynamic description of fragment-based drug discovery
-
Williams, G.; Ferenczy, G. G.; Ulander, J.; Keseru, G. M. Binding thermodynamics discriminates fragments from druglike compounds: a thermodynamic description of fragment-based drug discovery. Drug Discovery Today 2017, 22 (4), 681-689, 10.1016/j.drudis.2016.11.019
-
(2017)
Drug Discovery Today
, vol.22
, Issue.4
, pp. 681-689
-
-
Williams, G.1
Ferenczy, G.G.2
Ulander, J.3
Keseru, G.M.4
-
75
-
-
84966351783
-
Profiling the estimated plasma concentrations of 215 marketed oral drugs
-
Wenlock, M. C. Profiling the estimated plasma concentrations of 215 marketed oral drugs. MedChemComm 2016, 7 (4), 706-719, 10.1039/C5MD00583C
-
(2016)
MedChemComm
, vol.7
, Issue.4
, pp. 706-719
-
-
Wenlock, M.C.1
-
76
-
-
85037127392
-
In vitro membrane binding and protein binding (IAM MB/PB technology) to estimate in vivo distribution: Applications in early drug discovery
-
Valko, K. L.; Teague, S. P.; Pidgeon, C. In vitro membrane binding and protein binding (IAM MB/PB technology) to estimate in vivo distribution: applications in early drug discovery. ADMET DMPK 2017, 5 (1), 14-38, 10.5599/admet.5.1.373
-
(2017)
ADMET DMPK
, vol.5
, Issue.1
, pp. 14-38
-
-
Valko, K.L.1
Teague, S.P.2
Pidgeon, C.3
-
77
-
-
84867816311
-
Molecular conformations, interactions, and properties associated with drug efficiency and clinical performance among VEGFR TK inhibitors
-
McTigue, M.; Murray, B. W.; Chen, J. H.; Deng, Y. L.; Solowiej, J.; Kania, R. S. Molecular conformations, interactions, and properties associated with drug efficiency and clinical performance among VEGFR TK inhibitors. Proc. Natl. Acad. Sci. U. S. A. 2012, 109 (45), 18281-18289, 10.1073/pnas.1207759109
-
(2012)
Proc. Natl. Acad. Sci. U. S. A.
, vol.109
, Issue.45
, pp. 18281-18289
-
-
McTigue, M.1
Murray, B.W.2
Chen, J.H.3
Deng, Y.L.4
Solowiej, J.5
Kania, R.S.6
-
78
-
-
85036597195
-
The target landscape of clinical kinase drugs
-
Klaeger, S.; Heinzlmeir, S.; Wilhelm, M.; Polzer, H.; Vick, B.; Koenig, P.-A.; Reinecke, M.; Ruprecht, B.; Petzoldt, S.; Meng, C.; Zecha, J.; Reiter, K.; Qiao, H.; Helm, D.; Koch, H.; Schoof, M.; Canevari, G.; Casale, E.; Depaolini, S. R.; Feuchtinger, A.; Wu, Z.; Schmidt, T.; Rueckert, L.; Becker, W.; Huenges, J.; Garz, A.-K.; Gohlke, B.-O.; Zolg, D. P.; Kayser, G.; Vooder, T.; Preissner, R.; Hahne, H.; ToÌnisson, N.; Kramer, K.; Götze, K.; Bassermann, F.; Schlegl, J.; Ehrlich, H.-C.; Aiche, S.; Walch, A.; Greif, P. A.; Schneider, S.; Felder, E. R.; Ruland, J.; Médard, G.; Jeremias, I.; Spiekermann, K.; Kuster, B. The target landscape of clinical kinase drugs. Science 2017, 358 (6367), eaan4368, 10.1126/science.aan4368
-
(2017)
Science
, vol.358
, Issue.6367
, pp. eaan4368
-
-
Klaeger, S.1
Heinzlmeir, S.2
Wilhelm, M.3
Polzer, H.4
Vick, B.5
Koenig, P.-A.6
Reinecke, M.7
Ruprecht, B.8
Petzoldt, S.9
Meng, C.10
Zecha, J.11
Reiter, K.12
Qiao, H.13
Helm, D.14
Koch, H.15
Schoof, M.16
Canevari, G.17
Casale, E.18
Depaolini, S.R.19
Feuchtinger, A.20
Wu, Z.21
Schmidt, T.22
Rueckert, L.23
Becker, W.24
Huenges, J.25
Garz, A.-K.26
Gohlke, B.-O.27
Zolg, D.P.28
Kayser, G.29
Vooder, T.30
Preissner, R.31
Hahne, H.32
ToÌnisson, N.33
Kramer, K.34
Götze, K.35
Bassermann, F.36
Schlegl, J.37
Ehrlich, H.-C.38
Aiche, S.39
Walch, A.40
Greif, P.A.41
Schneider, S.42
Felder, E.R.43
Ruland, J.44
Médard, G.45
Jeremias, I.46
Spiekermann, K.47
Kuster, B.48
more..
-
79
-
-
80054782568
-
The successful quest for oral factor Xa inhibitors; Learnings for all of medicinal chemistry?
-
Young, R. J. The successful quest for oral factor Xa inhibitors; learnings for all of medicinal chemistry?. Bioorg. Med. Chem. Lett. 2011, 21 (21), 6228-6235, 10.1016/j.bmcl.2011.08.119
-
(2011)
Bioorg. Med. Chem. Lett.
, vol.21
, Issue.21
, pp. 6228-6235
-
-
Young, R.J.1
-
80
-
-
84866879823
-
The influence of lipophilicity in drug discovery and design
-
Arnott, J. A.; Planey, S. L. The influence of lipophilicity in drug discovery and design. Expert Opin. Drug Discovery 2012, 7 (10), 863-875, 10.1517/17460441.2012.714363
-
(2012)
Expert Opin. Drug Discovery
, vol.7
, Issue.10
, pp. 863-875
-
-
Arnott, J.A.1
Planey, S.L.2
-
81
-
-
77955509080
-
Getting physical in drug discovery: A contemporary perspective on solubility and hydrophobicity
-
Hill, A. P.; Young, R. J. Getting physical in drug discovery: a contemporary perspective on solubility and hydrophobicity. Drug Discovery Today 2010, 15 (15-16), 648-655, 10.1016/j.drudis.2010.05.016
-
(2010)
Drug Discovery Today
, vol.15
, Issue.1516
, pp. 648-655
-
-
Hill, A.P.1
Young, R.J.2
-
82
-
-
80052844344
-
Getting physical in drug discovery II: The impact of chromatographic hydrophobicity measurements and aromaticity
-
Young, R. J.; Green, D. V.; Luscombe, C. N.; Hill, A. P. Getting physical in drug discovery II: the impact of chromatographic hydrophobicity measurements and aromaticity. Drug Discovery Today 2011, 16 (17-18), 822-830, 10.1016/j.drudis.2011.06.001
-
(2011)
Drug Discovery Today
, vol.16
, Issue.1718
, pp. 822-830
-
-
Young, R.J.1
Green, D.V.2
Luscombe, C.N.3
Hill, A.P.4
-
83
-
-
62849112750
-
Calculation of molecular lipophilicity: State-of-the-art and comparison of logP methods on more than 96,000 compounds
-
Mannhold, R.; Poda, G. I.; Ostermann, C.; Tetko, I. V. Calculation of molecular lipophilicity: state-of-the-art and comparison of logP methods on more than 96,000 compounds. J. Pharm. Sci. 2009, 98, 861-893, 10.1002/jps.21494
-
(2009)
J. Pharm. Sci.
, vol.98
, pp. 861-893
-
-
Mannhold, R.1
Poda, G.I.2
Ostermann, C.3
Tetko, I.V.4
-
84
-
-
0000381930
-
Prediction of hydrophobic (lipophilic) properties of small organic molecules using fragmental methods: An analysis of ALOGP and CLOGP methods
-
Ghose, A. K.; Viswanadhan, V. N.; Wendoloski, J. J. Prediction of hydrophobic (lipophilic) properties of small organic molecules using fragmental methods: an analysis of ALOGP and CLOGP methods. J. Phys. Chem. A 1998, 102 (21), 3762-3772, 10.1021/jp980230o
-
(1998)
J. Phys. Chem. A
, vol.102
, Issue.21
, pp. 3762-3772
-
-
Ghose, A.K.1
Viswanadhan, V.N.2
Wendoloski, J.J.3
-
85
-
-
0001509942
-
Prediction of physicochemical parameters by atomic contributions
-
Wildman, S. A.; Crippen, G. M. Prediction of physicochemical parameters by atomic contributions. J. Chem. Inf. Comput. Sci. 1999, 39 (5), 868-873, 10.1021/ci990307l
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, Issue.5
, pp. 868-873
-
-
Wildman, S.A.1
Crippen, G.M.2
-
86
-
-
79958818241
-
Time-trajectories in efficiency maps as effective guides for drug discovery efforts
-
Christmann-Franck, S.; Cravo, D.; Abad-Zapatero, C. Time-trajectories in efficiency maps as effective guides for drug discovery efforts. Mol. Inf. 2011, 30 (2-3), 137-144, 10.1002/minf.201000158
-
(2011)
Mol. Inf.
, vol.30
, Issue.23
, pp. 137-144
-
-
Christmann-Franck, S.1
Cravo, D.2
Abad-Zapatero, C.3
-
87
-
-
33847086160
-
BC(DEF) parameters. 1. The intrinsic dimensionality of intermolecular interactions in the liquid state
-
Cramer, R. D. BC(DEF) parameters. 1. The intrinsic dimensionality of intermolecular interactions in the liquid state. J. Am. Chem. Soc. 1980, 102 (6), 1837-1849, 10.1021/ja00526a013
-
(1980)
J. Am. Chem. Soc.
, vol.102
, Issue.6
, pp. 1837-1849
-
-
Cramer, R.D.1
-
88
-
-
0027982335
-
Hydrogen bonding. 32. An analysis of water-octanol and water-alkane partitioning and the delta log P parameter of Seiler
-
Abraham, M. H.; Chadha, H. S.; Whiting, G. S.; Mitchell, R. C. Hydrogen bonding. 32. An analysis of water-octanol and water-alkane partitioning and the delta log P parameter of Seiler. J. Pharm. Sci. 1994, 83 (8), 1085-1100, 10.1002/jps.2600830806
-
(1994)
J. Pharm. Sci.
, vol.83
, Issue.8
, pp. 1085-1100
-
-
Abraham, M.H.1
Chadha, H.S.2
Whiting, G.S.3
Mitchell, R.C.4
-
89
-
-
85015084736
-
Nonclassical size dependence of permeation defines bounds for passive adsorption of large drug molecules
-
Pye, C. R.; Hewitt, W. M.; Schwochert, J.; Haddad, T. D.; Townsend, C. E.; Etienne, L.; Lao, Y.; Limberakis, C.; Furukawa, A.; Mathiowetz, A. M.; Price, D. A.; Liras, S.; Lokey, R. S. Nonclassical size dependence of permeation defines bounds for passive adsorption of large drug molecules. J. Med. Chem. 2017, 60 (5), 1665-1672, 10.1021/acs.jmedchem.6b01483
-
(2017)
J. Med. Chem.
, vol.60
, Issue.5
, pp. 1665-1672
-
-
Pye, C.R.1
Hewitt, W.M.2
Schwochert, J.3
Haddad, T.D.4
Townsend, C.E.5
Etienne, L.6
Lao, Y.7
Limberakis, C.8
Furukawa, A.9
Mathiowetz, A.M.10
Price, D.A.11
Liras, S.12
Lokey, R.S.13
-
90
-
-
27744548649
-
The Discovery of the CCR5 receptor antagonist, UK-427,857, a new agent for the treatment of HIV infection and AIDS
-
Elsevier
-
Wood, A.; Armour, D. The Discovery of the CCR5 receptor antagonist, UK-427,857, a new agent for the treatment of HIV infection and AIDS. In Progress in Medicinal Chemistry; King, F. D., Lawton, G., Eds.; Elsevier, 2005; Vol. 43, pp 239-271, DOI: 10.1016/S0079-6468(05)43007-6.
-
(2005)
Progress in Medicinal Chemistry
, vol.43
, pp. 239-271
-
-
Wood, A.1
Armour, D.2
King, F.D.3
Lawton, G.4
-
91
-
-
78651075863
-
An imidazopiperidine series of CCR5 antagonists for the treatment of HIV: The discovery of N-{(1S)-1-(3-fluorophenyl)-3-[(3-endo)-3-(5-isobutyryl-2-methyl-4,5,6,7-tetrahydr o-1H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}acetamide (PF-232798)
-
Stupple, P. A.; Batchelor, D. V.; Corless, M.; Dorr, P. K.; Ellis, D.; Fenwick, D. R.; Galan, S. R.; Jones, R. M.; Mason, H. J.; Middleton, D. S.; Perros, M.; Perruccio, F.; Platts, M. Y.; Pryde, D. C.; Rodrigues, D.; Smith, N. N.; Stephenson, P. T.; Webster, R.; Westby, M.; Wood, A. An imidazopiperidine series of CCR5 antagonists for the treatment of HIV: the discovery of N-{(1S)-1-(3-fluorophenyl)-3-[(3-endo)-3-(5-isobutyryl-2-methyl-4,5,6,7-tetrahydr o-1H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}acetamide (PF-232798). J. Med. Chem. 2011, 54 (1), 67-77, 10.1021/jm100978n
-
(2011)
J. Med. Chem.
, vol.54
, Issue.1
, pp. 67-77
-
-
Stupple, P.A.1
Batchelor, D.V.2
Corless, M.3
Dorr, P.K.4
Ellis, D.5
Fenwick, D.R.6
Galan, S.R.7
Jones, R.M.8
Mason, H.J.9
Middleton, D.S.10
Perros, M.11
Perruccio, F.12
Platts, M.Y.13
Pryde, D.C.14
Rodrigues, D.15
Smith, N.N.16
Stephenson, P.T.17
Webster, R.18
Westby, M.19
Wood, A.20
more..
-
92
-
-
10744230147
-
Antagonists of human CCR5 receptor containing 4-(pyrazolyl)piperidine side chains. Part 2: Discovery of potent, selective, and orally bioavailable compounds
-
Shen, D. M.; Shu, M.; Willoughby, C. A.; Shah, S.; Lynch, C. L.; Hale, J. J.; Mills, S. G.; Chapman, K. T.; Malkowitz, L.; Springer, M. S.; Gould, S. L.; DeMartino, J. A.; Siciliano, S. J.; Lyons, K.; Pivnichny, J. V.; Kwei, G. Y.; Carella, A.; Carver, G.; Holmes, K.; Schleif, W. A.; Danzeisen, R.; Hazuda, D.; Kessler, J.; Lineberger, J.; Miller, M. D.; Emini, E. A. Antagonists of human CCR5 receptor containing 4-(pyrazolyl)piperidine side chains. Part 2: Discovery of potent, selective, and orally bioavailable compounds. Bioorg. Med. Chem. Lett. 2004, 14 (4), 941-945, 10.1016/j.bmcl.2003.12.005
-
(2004)
Bioorg. Med. Chem. Lett.
, vol.14
, Issue.4
, pp. 941-945
-
-
Shen, D.M.1
Shu, M.2
Willoughby, C.A.3
Shah, S.4
Lynch, C.L.5
Hale, J.J.6
Mills, S.G.7
Chapman, K.T.8
Malkowitz, L.9
Springer, M.S.10
Gould, S.L.11
DeMartino, J.A.12
Siciliano, S.J.13
Lyons, K.14
Pivnichny, J.V.15
Kwei, G.Y.16
Carella, A.17
Carver, G.18
Holmes, K.19
Schleif, W.A.20
Danzeisen, R.21
Hazuda, D.22
Kessler, J.23
Lineberger, J.24
Miller, M.D.25
Emini, E.A.26
more..
-
93
-
-
0037373091
-
Pharmacokinetics and interactions of a novel antagonist of chemokine receptor 5 (CCR5) with ritonavir in rats and monkeys: Role of CYP3A and P-glycoprotein
-
Kumar, S.; Kwei, G. Y.; Poon, G. K.; Iliff, S. A.; Wang, Y.; Chen, Q.; Franklin, R. B.; Didolkar, V.; Wang, R. W.; Yamazaki, M.; Chiu, S. H.; Lin, J. H.; Pearson, P. G.; Baillie, T. A. Pharmacokinetics and interactions of a novel antagonist of chemokine receptor 5 (CCR5) with ritonavir in rats and monkeys: role of CYP3A and P-glycoprotein. J. Pharmacol. Exp. Ther. 2003, 304 (3), 1161-1171, 10.1124/jpet.102.045096
-
(2003)
J. Pharmacol. Exp. Ther.
, vol.304
, Issue.3
, pp. 1161-1171
-
-
Kumar, S.1
Kwei, G.Y.2
Poon, G.K.3
Iliff, S.A.4
Wang, Y.5
Chen, Q.6
Franklin, R.B.7
Didolkar, V.8
Wang, R.W.9
Yamazaki, M.10
Chiu, S.H.11
Lin, J.H.12
Pearson, P.G.13
Baillie, T.A.14
-
94
-
-
84918583896
-
Biological and structural characterization of rotamers of C-C chemokine receptor type 5 (CCR5) inhibitor GSK214096
-
Kazmierski, W. M.; Danehower, S.; Duan, M.; Ferris, R. G.; Elitzin, V.; Minick, D.; Sharp, M.; Stewart, E.; Villeneuve, M. Biological and structural characterization of rotamers of C-C chemokine receptor type 5 (CCR5) inhibitor GSK214096. ACS Med. Chem. Lett. 2014, 5 (12), 1296-1299, 10.1021/ml5004124
-
(2014)
ACS Med. Chem. Lett.
, vol.5
, Issue.12
, pp. 1296-1299
-
-
Kazmierski, W.M.1
Danehower, S.2
Duan, M.3
Ferris, R.G.4
Elitzin, V.5
Minick, D.6
Sharp, M.7
Stewart, E.8
Villeneuve, M.9
-
95
-
-
84863398102
-
Balancing hERG affinity and absorption in the discovery of AZD5672, an orally active CCR5 antagonist for the treatment of rheumatoid arthritis
-
Cumming, J. G.; Tucker, H.; Oldfield, J.; Fielding, C.; Highton, A.; Faull, A.; Wild, M.; Brown, D.; Wells, S.; Shaw, J. Balancing hERG affinity and absorption in the discovery of AZD5672, an orally active CCR5 antagonist for the treatment of rheumatoid arthritis. Bioorg. Med. Chem. Lett. 2012, 22 (4), 1655-1659, 10.1016/j.bmcl.2011.12.117
-
(2012)
Bioorg. Med. Chem. Lett.
, vol.22
, Issue.4
, pp. 1655-1659
-
-
Cumming, J.G.1
Tucker, H.2
Oldfield, J.3
Fielding, C.4
Highton, A.5
Faull, A.6
Wild, M.7
Brown, D.8
Wells, S.9
Shaw, J.10
-
96
-
-
34548427503
-
Investigating the mechanistic basis for hepatic toxicity induced by an experimental chemokine receptor 5 (CCR5) antagonist using a compendium of gene expression profiles
-
Cornwell, P. D.; Ulrich, R. G. Investigating the mechanistic basis for hepatic toxicity induced by an experimental chemokine receptor 5 (CCR5) antagonist using a compendium of gene expression profiles. Toxicol. Pathol. 2007, 35 (4), 576-588, 10.1080/01926230701383194
-
(2007)
Toxicol. Pathol.
, vol.35
, Issue.4
, pp. 576-588
-
-
Cornwell, P.D.1
Ulrich, R.G.2
-
97
-
-
77958503962
-
Preclinical and clinical investigation of a CCR5 antagonist, AZD5672, in patients with rheumatoid arthritis receiving methotrexate
-
Gerlag, D. M.; Hollis, S.; Layton, M.; Vencovsky, J.; Szekanecz, Z.; Braddock, M.; Tak, P. P. Preclinical and clinical investigation of a CCR5 antagonist, AZD5672, in patients with rheumatoid arthritis receiving methotrexate. Arthritis Rheum. 2010, 62 (11), 3154-3160, 10.1002/art.27652
-
(2010)
Arthritis Rheum.
, vol.62
, Issue.11
, pp. 3154-3160
-
-
Gerlag, D.M.1
Hollis, S.2
Layton, M.3
Vencovsky, J.4
Szekanecz, Z.5
Braddock, M.6
Tak, P.P.7
-
98
-
-
77955414088
-
Small molecule antagonists of the chemokine receptor CCR5
-
Lemoine, R. C.; Wanner, J. Small molecule antagonists of the chemokine receptor CCR5. Curr. Top. Med. Chem. 2010, 10 (13), 1299-1338, 10.2174/156802610791561219
-
(2010)
Curr. Top. Med. Chem.
, vol.10
, Issue.13
, pp. 1299-1338
-
-
Lemoine, R.C.1
Wanner, J.2
-
99
-
-
84869994291
-
Chemokine receptor antagonists
-
Pease, J.; Horuk, R. Chemokine receptor antagonists. J. Med. Chem. 2012, 55 (22), 9363-9392, 10.1021/jm300682j
-
(2012)
J. Med. Chem.
, vol.55
, Issue.22
, pp. 9363-9392
-
-
Pease, J.1
Horuk, R.2
-
100
-
-
33746650102
-
The discovery of CCR5 receptor antagonists for the treatment of HIV infection: Hit-to-lead studies
-
Armour, D.; de Groot, M. J.; Edwards, M.; Perros, M.; Price, D. A.; Stammen, B. L.; Wood, A. The discovery of CCR5 receptor antagonists for the treatment of HIV infection: hit-to-lead studies. ChemMedChem 2006, 1 (7), 706-709, 10.1002/cmdc.200600031
-
(2006)
ChemMedChem
, vol.1
, Issue.7
, pp. 706-709
-
-
Armour, D.1
De Groot, M.J.2
Edwards, M.3
Perros, M.4
Price, D.A.5
Stammen, B.L.6
Wood, A.7
-
101
-
-
33746233345
-
Overcoming HERG affinity in the discovery of the CCR5 antagonist maraviroc
-
Price, D. A.; Armour, D.; de Groot, M.; Leishman, D.; Napier, C.; Perros, M.; Stammen, B. L.; Wood, A. Overcoming HERG affinity in the discovery of the CCR5 antagonist maraviroc. Bioorg. Med. Chem. Lett. 2006, 16 (17), 4633-4637, 10.1016/j.bmcl.2006.06.012
-
(2006)
Bioorg. Med. Chem. Lett.
, vol.16
, Issue.17
, pp. 4633-4637
-
-
Price, D.A.1
Armour, D.2
De Groot, M.3
Leishman, D.4
Napier, C.5
Perros, M.6
Stammen, B.L.7
Wood, A.8
-
102
-
-
40549102421
-
Assessment of the absorption, metabolism and absolute bioavailability of maraviroc in healthy male subjects
-
Abel, S.; Russell, D.; Whitlock, L. A.; Ridgway, C. E.; Nedderman, A. N.; Walker, D. K. Assessment of the absorption, metabolism and absolute bioavailability of maraviroc in healthy male subjects. Br. J. Clin. Pharmacol. 2008, 65 (Suppl. 1), 60-67, 10.1111/j.1365-2125.2008.03137.x
-
(2008)
Br. J. Clin. Pharmacol.
, vol.65
, pp. 60-67
-
-
Abel, S.1
Russell, D.2
Whitlock, L.A.3
Ridgway, C.E.4
Nedderman, A.N.5
Walker, D.K.6
-
103
-
-
84903211679
-
A study of the molecular mechanism of binding kinetics and long residence times of human CCR5 receptor small molecule allosteric ligands
-
Swinney, D. C.; Beavis, P.; Chuang, K. T.; Zheng, Y.; Lee, I.; Gee, P.; Deval, J.; Rotstein, D. M.; Dioszegi, M.; Ravendran, P.; Zhang, J.; Sankuratri, S.; Kondru, R.; Vauquelin, G. A study of the molecular mechanism of binding kinetics and long residence times of human CCR5 receptor small molecule allosteric ligands. Br. J. Pharmacol. 2014, 171 (14), 3364-3375, 10.1111/bph.12683
-
(2014)
Br. J. Pharmacol.
, vol.171
, Issue.14
, pp. 3364-3375
-
-
Swinney, D.C.1
Beavis, P.2
Chuang, K.T.3
Zheng, Y.4
Lee, I.5
Gee, P.6
Deval, J.7
Rotstein, D.M.8
Dioszegi, M.9
Ravendran, P.10
Zhang, J.11
Sankuratri, S.12
Kondru, R.13
Vauquelin, G.14
-
104
-
-
84884673669
-
Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex
-
Tan, Q.; Zhu, Y.; Li, J.; Chen, Z.; Han, G. W.; Kufareva, I.; Li, T.; Ma, L.; Fenalti, G.; Li, J.; Zhang, W.; Xie, X.; Yang, H.; Jiang, H.; Cherezov, V.; Liu, H.; Stevens, R. C.; Zhao, Q.; Wu, B. Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex. Science 2013, 341 (6152), 1387-1390, 10.1126/science.1241475
-
(2013)
Science
, vol.341
, Issue.6152
, pp. 1387-1390
-
-
Tan, Q.1
Zhu, Y.2
Li, J.3
Chen, Z.4
Han, G.W.5
Kufareva, I.6
Li, T.7
Ma, L.8
Fenalti, G.9
Li, J.10
Zhang, W.11
Xie, X.12
Yang, H.13
Jiang, H.14
Cherezov, V.15
Liu, H.16
Stevens, R.C.17
Zhao, Q.18
Wu, B.19
-
105
-
-
9644265258
-
Modulators of the human CCR5 receptor. Part 1: Discovery and initial SAR of 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas
-
Burrows, J. N.; Cumming, J. G.; Fillery, S. M.; Hamlin, G. A.; Hudson, J. A.; Jackson, R. J.; McLaughlin, S.; Shaw, J. S. Modulators of the human CCR5 receptor. Part 1: Discovery and initial SAR of 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas. Bioorg. Med. Chem. Lett. 2005, 15 (1), 25-28, 10.1016/j.bmcl.2004.10.044
-
(2005)
Bioorg. Med. Chem. Lett.
, vol.15
, Issue.1
, pp. 25-28
-
-
Burrows, J.N.1
Cumming, J.G.2
Fillery, S.M.3
Hamlin, G.A.4
Hudson, J.A.5
Jackson, R.J.6
McLaughlin, S.7
Shaw, J.S.8
-
106
-
-
25844494409
-
Modulators of the human CCR5 receptor. Part 2: SAR of substituted 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides
-
Cumming, J. G.; Cooper, A. E.; Grime, K.; Logan, C. J.; McLaughlin, S.; Oldfield, J.; Shaw, J. S.; Tucker, H.; Winter, J.; Whittaker, D. Modulators of the human CCR5 receptor. Part 2: SAR of substituted 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides. Bioorg. Med. Chem. Lett. 2005, 15 (22), 5012-5015, 10.1016/j.bmcl.2005.08.014
-
(2005)
Bioorg. Med. Chem. Lett.
, vol.15
, Issue.22
, pp. 5012-5015
-
-
Cumming, J.G.1
Cooper, A.E.2
Grime, K.3
Logan, C.J.4
McLaughlin, S.5
Oldfield, J.6
Shaw, J.S.7
Tucker, H.8
Winter, J.9
Whittaker, D.10
-
107
-
-
33646918010
-
Modulators of the human CCR5 receptor. Part 3: SAR of substituted 1-[3-(4-methanesulfonylphenyl)-3-phenylpropyl]-piperidinyl phenylacetamides
-
Cumming, J. G.; Brown, S. J.; Cooper, A. E.; Faull, A. W.; Flynn, A. P.; Grime, K.; Oldfield, J.; Shaw, J. S.; Shepherd, E.; Tucker, H.; Whittaker, D. Modulators of the human CCR5 receptor. Part 3: SAR of substituted 1-[3-(4-methanesulfonylphenyl)-3-phenylpropyl]-piperidinyl phenylacetamides. Bioorg. Med. Chem. Lett. 2006, 16 (13), 3533-3536, 10.1016/j.bmcl.2006.03.089
-
(2006)
Bioorg. Med. Chem. Lett.
, vol.16
, Issue.13
, pp. 3533-3536
-
-
Cumming, J.G.1
Brown, S.J.2
Cooper, A.E.3
Faull, A.W.4
Flynn, A.P.5
Grime, K.6
Oldfield, J.7
Shaw, J.S.8
Shepherd, E.9
Tucker, H.10
Whittaker, D.11
-
108
-
-
0035931442
-
Antagonists of the human CCR5 receptor as anti-HIV-1 agents. Part 1: Discovery and initial structure-activity relationships for 1-amino-2-phenyl-4-(piperidin-1-yl)butanes
-
Dorn, C. P.; Finke, P. E.; Oates, B.; Budhu, R. J.; Mills, S. G.; MacCoss, M.; Malkowitz, L.; Springer, M. S.; Daugherty, B. L.; Gould, S. L.; DeMartino, J. A.; Siciliano, S. J.; Carella, A.; Carver, G.; Holmes, K.; Danzeisen, R.; Hazuda, D.; Kessler, J.; Lineberger, J.; Miller, M.; Schleif, W. A.; Emini, E. A. Antagonists of the human CCR5 receptor as anti-HIV-1 agents. Part 1: Discovery and initial structure-activity relationships for 1-amino-2-phenyl-4-(piperidin-1-yl)butanes. Bioorg. Med. Chem. Lett. 2001, 11 (2), 259-264, 10.1016/S0960-894X(00)00637-5
-
(2001)
Bioorg. Med. Chem. Lett.
, vol.11
, Issue.2
, pp. 259-264
-
-
Dorn, C.P.1
Finke, P.E.2
Oates, B.3
Budhu, R.J.4
Mills, S.G.5
MacCoss, M.6
Malkowitz, L.7
Springer, M.S.8
Daugherty, B.L.9
Gould, S.L.10
DeMartino, J.A.11
Siciliano, S.J.12
Carella, A.13
Carver, G.14
Holmes, K.15
Danzeisen, R.16
Hazuda, D.17
Kessler, J.18
Lineberger, J.19
Miller, M.20
Schleif, W.A.21
Emini, E.A.22
more..
-
109
-
-
54549105753
-
Discovery of bioavailable 4,4-disubstituted piperidines as potent ligands of the chemokine receptor 5 and inhibitors of the human immunodeficiency virus-1
-
Kazmierski, W. M.; Aquino, C.; Chauder, B. A.; Deanda, F.; Ferris, R.; Jones-Hertzog, D. K.; Kenakin, T.; Koble, C. S.; Watson, C.; Wheelan, P.; Yang, H.; Youngman, M. Discovery of bioavailable 4,4-disubstituted piperidines as potent ligands of the chemokine receptor 5 and inhibitors of the human immunodeficiency virus-1. J. Med. Chem. 2008, 51 (20), 6538-6546, 10.1021/jm800598a
-
(2008)
J. Med. Chem.
, vol.51
, Issue.20
, pp. 6538-6546
-
-
Kazmierski, W.M.1
Aquino, C.2
Chauder, B.A.3
Deanda, F.4
Ferris, R.5
Jones-Hertzog, D.K.6
Kenakin, T.7
Koble, C.S.8
Watson, C.9
Wheelan, P.10
Yang, H.11
Youngman, M.12
-
110
-
-
79958140590
-
Novel 4,4-disubstituted piperidine-based C-C chemokine receptor-5 inhibitors with high potency against human immunodeficiency virus-1 and an improved human ether-a-go-go related gene (hERG) profile
-
Kazmierski, W. M.; Anderson, D. L.; Aquino, C.; Chauder, B. A.; Duan, M.; Ferris, R.; Kenakin, T.; Koble, C. S.; Lang, D. G.; McIntyre, M. S.; Peckham, J.; Watson, C.; Wheelan, P.; Spaltenstein, A.; Wire, M. B.; Svolto, A.; Youngman, M. Novel 4,4-disubstituted piperidine-based C-C chemokine receptor-5 inhibitors with high potency against human immunodeficiency virus-1 and an improved human ether-a-go-go related gene (hERG) profile. J. Med. Chem. 2011, 54 (11), 3756-3767, 10.1021/jm200279v
-
(2011)
J. Med. Chem.
, vol.54
, Issue.11
, pp. 3756-3767
-
-
Kazmierski, W.M.1
Anderson, D.L.2
Aquino, C.3
Chauder, B.A.4
Duan, M.5
Ferris, R.6
Kenakin, T.7
Koble, C.S.8
Lang, D.G.9
McIntyre, M.S.10
Peckham, J.11
Watson, C.12
Wheelan, P.13
Spaltenstein, A.14
Wire, M.B.15
Svolto, A.16
Youngman, M.17
-
111
-
-
78650827771
-
The discovery and development of rivaroxaban, an oral, direct factor Xa inhibitor
-
Perzborn, E.; Roehrig, S.; Straub, A.; Kubitza, D.; Misselwitz, F. The discovery and development of rivaroxaban, an oral, direct factor Xa inhibitor. Nat. Rev. Drug Discovery 2011, 10 (1), 61-75, 10.1038/nrd3185
-
(2011)
Nat. Rev. Drug Discovery
, vol.10
, Issue.1
, pp. 61-75
-
-
Perzborn, E.1
Roehrig, S.2
Straub, A.3
Kubitza, D.4
Misselwitz, F.5
-
112
-
-
80052351015
-
Preclinical discovery of apixaban, a direct and orally bioavailable factor Xa inhibitor
-
Wong, P. C.; Pinto, D. J.; Zhang, D. Preclinical discovery of apixaban, a direct and orally bioavailable factor Xa inhibitor. J. Thromb. Thrombolysis 2011, 31 (4), 478-492, 10.1007/s11239-011-0551-3
-
(2011)
J. Thromb. Thrombolysis
, vol.31
, Issue.4
, pp. 478-492
-
-
Wong, P.C.1
Pinto, D.J.2
Zhang, D.3
-
113
-
-
10444251029
-
Development of DX-9065a, a novel direct factor Xa antagonist, in cardiovascular disease
-
Becker, R. C.; Alexander, J.; Dyke, C. K.; Harrington, R. A. Development of DX-9065a, a novel direct factor Xa antagonist, in cardiovascular disease. Thromb. Haemostasis 2004, 92 (6), 1182-1193, 10.1160/TH04-05-0289
-
(2004)
Thromb. Haemostasis
, vol.92
, Issue.6
, pp. 1182-1193
-
-
Becker, R.C.1
Alexander, J.2
Dyke, C.K.3
Harrington, R.A.4
-
114
-
-
63149141508
-
Discovery of betrixaban (PRT054021), N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-5-methoxybenz amide, a highly potent, selective, and orally efficacious factor Xa inhibitor
-
Zhang, P.; Huang, W.; Wang, L.; Bao, L.; Jia, Z. J.; Bauer, S. M.; Goldman, E. A.; Probst, G. D.; Song, Y.; Su, T.; Fan, J.; Wu, Y.; Li, W.; Woolfrey, J.; Sinha, U.; Wong, P. W.; Edwards, S. T.; Arfsten, A. E.; Clizbe, L. A.; Kanter, J.; Pandey, A.; Park, G.; Hutchaleelaha, A.; Lambing, J. L.; Hollenbach, S. J.; Scarborough, R. M.; Zhu, B. Y. Discovery of betrixaban (PRT054021), N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-5-methoxybenz amide, a highly potent, selective, and orally efficacious factor Xa inhibitor. Bioorg. Med. Chem. Lett. 2009, 19 (8), 2179-2185, 10.1016/j.bmcl.2009.02.111
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, Issue.8
, pp. 2179-2185
-
-
Zhang, P.1
Huang, W.2
Wang, L.3
Bao, L.4
Jia, Z.J.5
Bauer, S.M.6
Goldman, E.A.7
Probst, G.D.8
Song, Y.9
Su, T.10
Fan, J.11
Wu, Y.12
Li, W.13
Woolfrey, J.14
Sinha, U.15
Wong, P.W.16
Edwards, S.T.17
Arfsten, A.E.18
Clizbe, L.A.19
Kanter, J.20
Pandey, A.21
Park, G.22
Hutchaleelaha, A.23
Lambing, J.L.24
Hollenbach, S.J.25
Scarborough, R.M.26
Zhu, B.Y.27
more..
-
115
-
-
34147108048
-
Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfon amides
-
Chan, C.; Borthwick, A. D.; Brown, D.; Burns-Kurtis, C. L.; Campbell, M.; Chaudry, L.; Chung, C. W.; Convery, M. A.; Hamblin, J. N.; Johnstone, L.; Kelly, H. A.; Kleanthous, S.; Patikis, A.; Patel, C.; Pateman, A. J.; Senger, S.; Shah, G. P.; Toomey, J. R.; Watson, N. S.; Weston, H. E.; Whitworth, C.; Young, R. J.; Zhou, P. Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfon amides. J. Med. Chem. 2007, 50 (7), 1546-1557, 10.1021/jm060870c
-
(2007)
J. Med. Chem.
, vol.50
, Issue.7
, pp. 1546-1557
-
-
Chan, C.1
Borthwick, A.D.2
Brown, D.3
Burns-Kurtis, C.L.4
Campbell, M.5
Chaudry, L.6
Chung, C.W.7
Convery, M.A.8
Hamblin, J.N.9
Johnstone, L.10
Kelly, H.A.11
Kleanthous, S.12
Patikis, A.13
Patel, C.14
Pateman, A.J.15
Senger, S.16
Shah, G.P.17
Toomey, J.R.18
Watson, N.S.19
Weston, H.E.20
Whitworth, C.21
Young, R.J.22
Zhou, P.23
more..
-
116
-
-
79952362409
-
The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs
-
Watson, N. S.; Adams, C.; Belton, D.; Brown, D.; Burns-Kurtis, C. L.; Chaudry, L.; Chan, C.; Convery, M. A.; Davies, D. E.; Exall, A. M.; Harling, J. D.; Irvine, S.; Irving, W. R.; Kleanthous, S.; McLay, I. M.; Pateman, A. J.; Patikis, A. N.; Roethke, T. J.; Senger, S.; Stelman, G. J.; Toomey, J. R.; West, R. I.; Whittaker, C.; Zhou, P.; Young, R. J. The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs. Bioorg. Med. Chem. Lett. 2011, 21 (6), 1588-1592, 10.1016/j.bmcl.2011.01.129
-
(2011)
Bioorg. Med. Chem. Lett.
, vol.21
, Issue.6
, pp. 1588-1592
-
-
Watson, N.S.1
Adams, C.2
Belton, D.3
Brown, D.4
Burns-Kurtis, C.L.5
Chaudry, L.6
Chan, C.7
Convery, M.A.8
Davies, D.E.9
Exall, A.M.10
Harling, J.D.11
Irvine, S.12
Irving, W.R.13
Kleanthous, S.14
McLay, I.M.15
Pateman, A.J.16
Patikis, A.N.17
Roethke, T.J.18
Senger, S.19
Stelman, G.J.20
Toomey, J.R.21
West, R.I.22
Whittaker, C.23
Zhou, P.24
Young, R.J.25
more..
-
117
-
-
37549065150
-
Structure and property based design of factor Xa inhibitors: Pyrrolidin-2-ones with biaryl P4 motifs
-
Young, R. J.; Borthwick, A. D.; Brown, D.; Burns-Kurtis, C. L.; Campbell, M.; Chan, C.; Charbaut, M.; Chung, C. W.; Convery, M. A.; Kelly, H. A.; Paul King, N.; Kleanthous, S.; Mason, A. M.; Pateman, A. J.; Patikis, A. N.; Pinto, I. L.; Pollard, D. R.; Senger, S.; Shah, G. P.; Toomey, J. R.; Watson, N. S.; Weston, H. E. Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with biaryl P4 motifs. Bioorg. Med. Chem. Lett. 2008, 18 (1), 23-27, 10.1016/j.bmcl.2007.11.023
-
(2008)
Bioorg. Med. Chem. Lett.
, vol.18
, Issue.1
, pp. 23-27
-
-
Young, R.J.1
Borthwick, A.D.2
Brown, D.3
Burns-Kurtis, C.L.4
Campbell, M.5
Chan, C.6
Charbaut, M.7
Chung, C.W.8
Convery, M.A.9
Kelly, H.A.10
Paul King, N.11
Kleanthous, S.12
Mason, A.M.13
Pateman, A.J.14
Patikis, A.N.15
Pinto, I.L.16
Pollard, D.R.17
Senger, S.18
Shah, G.P.19
Toomey, J.R.20
Watson, N.S.21
Weston, H.E.22
more..
-
118
-
-
37549040576
-
Structure and property based design of factor Xa inhibitors: Biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs
-
Young, R. J.; Borthwick, A. D.; Brown, D.; Burns-Kurtis, C. L.; Campbell, M.; Chan, C.; Charbaut, M.; Convery, M. A.; Diallo, H.; Hortense, E.; Irving, W. R.; Kelly, H. A.; King, N. P.; Kleanthous, S.; Mason, A. M.; Pateman, A. J.; Patikis, A. N.; Pinto, I. L.; Pollard, D. R.; Senger, S.; Shah, G. P.; Toomey, J. R.; Watson, N. S.; Weston, H. E.; Zhou, P. Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs. Bioorg. Med. Chem. Lett. 2008, 18 (1), 28-33, 10.1016/j.bmcl.2007.11.019
-
(2008)
Bioorg. Med. Chem. Lett.
, vol.18
, Issue.1
, pp. 28-33
-
-
Young, R.J.1
Borthwick, A.D.2
Brown, D.3
Burns-Kurtis, C.L.4
Campbell, M.5
Chan, C.6
Charbaut, M.7
Convery, M.A.8
Diallo, H.9
Hortense, E.10
Irving, W.R.11
Kelly, H.A.12
King, N.P.13
Kleanthous, S.14
Mason, A.M.15
Pateman, A.J.16
Patikis, A.N.17
Pinto, I.L.18
Pollard, D.R.19
Senger, S.20
Shah, G.P.21
Toomey, J.R.22
Watson, N.S.23
Weston, H.E.24
Zhou, P.25
more..
-
119
-
-
72249096436
-
Structure and property based design of factor Xa inhibitors: Pyrrolidin-2-ones with monoaryl P4 motifs
-
Kleanthous, S.; Borthwick, A. D.; Brown, D.; Burns-Kurtis, C. L.; Campbell, M.; Chaudry, L.; Chan, C.; Clarte, M. O.; Convery, M. A.; Harling, J. D.; Hortense, E.; Irving, W. R.; Irvine, S.; Pateman, A. J.; Patikis, A. N.; Pinto, I. L.; Pollard, D. R.; Roethka, T. J.; Senger, S.; Shah, G. P.; Stelman, G. J.; Toomey, J. R.; Watson, N. S.; West, R. I.; Whittaker, C.; Zhou, P.; Young, R. J. Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs. Bioorg. Med. Chem. Lett. 2010, 20 (2), 618-622, 10.1016/j.bmcl.2009.11.077
-
(2010)
Bioorg. Med. Chem. Lett.
, vol.20
, Issue.2
, pp. 618-622
-
-
Kleanthous, S.1
Borthwick, A.D.2
Brown, D.3
Burns-Kurtis, C.L.4
Campbell, M.5
Chaudry, L.6
Chan, C.7
Clarte, M.O.8
Convery, M.A.9
Harling, J.D.10
Hortense, E.11
Irving, W.R.12
Irvine, S.13
Pateman, A.J.14
Patikis, A.N.15
Pinto, I.L.16
Pollard, D.R.17
Roethka, T.J.18
Senger, S.19
Shah, G.P.20
Stelman, G.J.21
Toomey, J.R.22
Watson, N.S.23
West, R.I.24
Whittaker, C.25
Zhou, P.26
Young, R.J.27
more..
-
120
-
-
33746486222
-
Design and synthesis of orally active pyrrolidin-2-one-based factor Xa inhibitors
-
Watson, N. S.; Brown, D.; Campbell, M.; Chan, C.; Chaudry, L.; Convery, M. A.; Fenwick, R.; Hamblin, J. N.; Haslam, C.; Kelly, H. A.; King, N. P.; Kurtis, C. L.; Leach, A. R.; Manchee, G. R.; Mason, A. M.; Mitchell, C.; Patel, C.; Patel, V. K.; Senger, S.; Shah, G. P.; Weston, H. E.; Whitworth, C.; Young, R. J. Design and synthesis of orally active pyrrolidin-2-one-based factor Xa inhibitors. Bioorg. Med. Chem. Lett. 2006, 16 (14), 3784-3788, 10.1016/j.bmcl.2006.04.053
-
(2006)
Bioorg. Med. Chem. Lett.
, vol.16
, Issue.14
, pp. 3784-3788
-
-
Watson, N.S.1
Brown, D.2
Campbell, M.3
Chan, C.4
Chaudry, L.5
Convery, M.A.6
Fenwick, R.7
Hamblin, J.N.8
Haslam, C.9
Kelly, H.A.10
King, N.P.11
Kurtis, C.L.12
Leach, A.R.13
Manchee, G.R.14
Mason, A.M.15
Mitchell, C.16
Patel, C.17
Patel, V.K.18
Senger, S.19
Shah, G.P.20
Weston, H.E.21
Whitworth, C.22
Young, R.J.23
more..
-
121
-
-
84926248448
-
The discovery of the long-acting PDE5 inhibitor PF-489791 for the treatment of pulmonary hypertension
-
The Royal Society of Chemistry, Chapter 8
-
Bell, A. S.; Palmer, M. J. The discovery of the long-acting PDE5 inhibitor PF-489791 for the treatment of pulmonary hypertension. In Accounts in Drug Discovery: Case Studies in Medicinal Chemistry; Barrish, J., Carter, P., Cheng, P., Zahler, R., Eds.; The Royal Society of Chemistry, 2010; Chapter 8, pp 166-182, DOI: 10.1039/9781849731980-00166.
-
(2010)
Accounts in Drug Discovery: Case Studies in Medicinal Chemistry
, pp. 166-182
-
-
Bell, A.S.1
Palmer, M.J.2
Barrish, J.3
Carter, P.4
Cheng, P.5
Zahler, R.6
-
122
-
-
33847653306
-
Design of second generation phosphodiesterase 5 inhibitors
-
Palmer, M.; Bell, A.; Fox, D.; Brown, D. Design of second generation phosphodiesterase 5 inhibitors. Curr. Top. Med. Chem. 2007, 7 (4), 405-419, 10.2174/156802607779941288
-
(2007)
Curr. Top. Med. Chem.
, vol.7
, Issue.4
, pp. 405-419
-
-
Palmer, M.1
Bell, A.2
Fox, D.3
Brown, D.4
-
123
-
-
0030572496
-
Sildenafil (VIAGRATM), a potent and selective inhibitor of type 5 cGMP phosphodiesterase with utility for the treatment of male erectile dysfunction
-
Terrett, N. K.; Bell, A. S.; Brown, D.; Ellis, P. Sildenafil (VIAGRATM), a potent and selective inhibitor of type 5 cGMP phosphodiesterase with utility for the treatment of male erectile dysfunction. Bioorg. Med. Chem. Lett. 1996, 6 (15), 1819-1824, 10.1016/0960-894X(96)00323-X
-
(1996)
Bioorg. Med. Chem. Lett.
, vol.6
, Issue.15
, pp. 1819-1824
-
-
Terrett, N.K.1
Bell, A.S.2
Brown, D.3
Ellis, P.4
-
124
-
-
0037170832
-
Imidazo[5,1-f][1,2,4]triazin-4(3H)-ones, a new class of potent PDE 5 inhibitors
-
Haning, H.; Niewöhner, U.; Schenke, T.; Es-Sayed, M.; Schmidt, G.; Lampe, T.; Bischoff, E. Imidazo[5,1-f][1,2,4]triazin-4(3H)-ones, a new class of potent PDE 5 inhibitors. Bioorg. Med. Chem. Lett. 2002, 12 (6), 865-868, 10.1016/S0960-894X(02)00030-6
-
(2002)
Bioorg. Med. Chem. Lett.
, vol.12
, Issue.6
, pp. 865-868
-
-
Haning, H.1
Niewöhner, U.2
Schenke, T.3
Es-Sayed, M.4
Schmidt, G.5
Lampe, T.6
Bischoff, E.7
-
125
-
-
0141992797
-
The discovery of tadalafil: A novel and highly selective PDE5 inhibitor. 1:5,6,11,11a-tetrahydro-1H-imidazo[1′,5′:1,6]pyrido[3,4-b]indole-1,3(2H)-dione analogues
-
Daugan, A.; Grondin, P.; Ruault, C.; Le Monnier de Gouville, A. C.; Coste, H.; Kirilovsky, J.; Hyafil, F.; Labaudiniere, R. The discovery of tadalafil: a novel and highly selective PDE5 inhibitor. 1:5,6,11,11a-tetrahydro-1H-imidazo[1′,5′:1,6]pyrido[3,4-b]indole-1,3(2H)-dione analogues. J. Med. Chem. 2003, 46 (21), 4525-4532, 10.1021/jm030056e
-
(2003)
J. Med. Chem.
, vol.46
, Issue.21
, pp. 4525-4532
-
-
Daugan, A.1
Grondin, P.2
Ruault, C.3
Le Monnier De Gouville, A.C.4
Coste, H.5
Kirilovsky, J.6
Hyafil, F.7
Labaudiniere, R.8
-
126
-
-
85019624038
-
The design, development, and evaluation of BACE1 inhibitors for the treatment of Alzheimer's disease
-
Springer International Publishing: Cham, Switzerland
-
Ghosh, A. K.; Cárdenas, E. L.; Osswald, H. L. The design, development, and evaluation of BACE1 inhibitors for the treatment of Alzheimer's disease. In Alzheimer's Disease II; Wolfe, M. S., Ed.; Springer International Publishing: Cham, Switzerland, 2016; pp 27-85, DOI: 10.1007/7355-2016-16.
-
(2016)
Alzheimer's Disease II
, pp. 27-85
-
-
Ghosh, A.K.1
Cárdenas, E.L.2
Osswald, H.L.3
Wolfe, M.S.4
-
127
-
-
84899097978
-
The evolution of amidine-based brain penetrant BACE1 inhibitors
-
Oehlrich, D.; Prokopcova, H.; Gijsen, H. J. The evolution of amidine-based brain penetrant BACE1 inhibitors. Bioorg. Med. Chem. Lett. 2014, 24 (9), 2033-2045, 10.1016/j.bmcl.2014.03.025
-
(2014)
Bioorg. Med. Chem. Lett.
, vol.24
, Issue.9
, pp. 2033-2045
-
-
Oehlrich, D.1
Prokopcova, H.2
Gijsen, H.J.3
-
128
-
-
85041804152
-
BACE-1 Inhibitors: From recent single-target molecules to multitarget compounds for Alzheimer's disease
-
Prati, F.; Bottegoni, G.; Bolognesi, M. L.; Cavalli, A. BACE-1 Inhibitors: from recent single-target molecules to multitarget compounds for Alzheimer's disease. J. Med. Chem. 2018, 61, 619-637, 10.1021/acs.jmedchem.7b00393
-
(2018)
J. Med. Chem.
, vol.61
, pp. 619-637
-
-
Prati, F.1
Bottegoni, G.2
Bolognesi, M.L.3
Cavalli, A.4
-
129
-
-
37848998796
-
Discovery of a novel warhead against beta-secretase through fragment-based lead generation
-
Geschwindner, S.; Olsson, L. L.; Albert, J. S.; Deinum, J.; Edwards, P. D.; de Beer, T.; Folmer, R. H. Discovery of a novel warhead against beta-secretase through fragment-based lead generation. J. Med. Chem. 2007, 50 (24), 5903-5911, 10.1021/jm070825k
-
(2007)
J. Med. Chem.
, vol.50
, Issue.24
, pp. 5903-5911
-
-
Geschwindner, S.1
Olsson, L.L.2
Albert, J.S.3
Deinum, J.4
Edwards, P.D.5
De Beer, T.6
Folmer, R.H.7
-
130
-
-
84870337419
-
Discovery of AZD3839, a potent and selective BACE1 inhibitor clinical candidate for the treatment of Alzheimer disease
-
Jeppsson, F.; Eketjall, S.; Janson, J.; Karlstrom, S.; Gustavsson, S.; Olsson, L. L.; Radesater, A. C.; Ploeger, B.; Cebers, G.; Kolmodin, K.; Swahn, B. M.; von Berg, S.; Bueters, T.; Falting, J. Discovery of AZD3839, a potent and selective BACE1 inhibitor clinical candidate for the treatment of Alzheimer disease. J. Biol. Chem. 2012, 287 (49), 41245-41257, 10.1074/jbc.M112.409110
-
(2012)
J. Biol. Chem.
, vol.287
, Issue.49
, pp. 41245-41257
-
-
Jeppsson, F.1
Eketjall, S.2
Janson, J.3
Karlstrom, S.4
Gustavsson, S.5
Olsson, L.L.6
Radesater, A.C.7
Ploeger, B.8
Cebers, G.9
Kolmodin, K.10
Swahn, B.M.11
Von Berg, S.12
Bueters, T.13
Falting, J.14
-
131
-
-
37849043411
-
Application of fragment-based lead generation to the discovery of novel, cyclic amidine beta-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiency
-
Edwards, P. D.; Albert, J. S.; Sylvester, M.; Aharony, D.; Andisik, D.; Callaghan, O.; Campbell, J. B.; Carr, R. A.; Chessari, G.; Congreve, M.; Frederickson, M.; Folmer, R. H.; Geschwindner, S.; Koether, G.; Kolmodin, K.; Krumrine, J.; Mauger, R. C.; Murray, C. W.; Olsson, L. L.; Patel, S.; Spear, N.; Tian, G. Application of fragment-based lead generation to the discovery of novel, cyclic amidine beta-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiency. J. Med. Chem. 2007, 50 (24), 5912-5925, 10.1021/jm070829p
-
(2007)
J. Med. Chem.
, vol.50
, Issue.24
, pp. 5912-5925
-
-
Edwards, P.D.1
Albert, J.S.2
Sylvester, M.3
Aharony, D.4
Andisik, D.5
Callaghan, O.6
Campbell, J.B.7
Carr, R.A.8
Chessari, G.9
Congreve, M.10
Frederickson, M.11
Folmer, R.H.12
Geschwindner, S.13
Koether, G.14
Kolmodin, K.15
Krumrine, J.16
Mauger, R.C.17
Murray, C.W.18
Olsson, L.L.19
Patel, S.20
Spear, N.21
Tian, G.22
more..
-
132
-
-
85003706946
-
Discovery of the 3-imino-1,2,4-thiadiazinane 1,1-dioxide derivative verubecestat (MK-8931)-a beta-site amyloid precursor protein cleaving enzyme 1 inhibitor for the treatment of Alzheimer's disease
-
Scott, J. D.; Li, S. W.; Brunskill, A. P.; Chen, X.; Cox, K.; Cumming, J. N.; Forman, M.; Gilbert, E. J.; Hodgson, R. A.; Hyde, L. A.; Jiang, Q.; Iserloh, U.; Kazakevich, I.; Kuvelkar, R.; Mei, H.; Meredith, J.; Misiaszek, J.; Orth, P.; Rossiter, L. M.; Slater, M.; Stone, J.; Strickland, C. O.; Voigt, J. H.; Wang, G.; Wang, H.; Wu, Y.; Greenlee, W. J.; Parker, E. M.; Kennedy, M. E.; Stamford, A. W. Discovery of the 3-imino-1,2,4-thiadiazinane 1,1-dioxide derivative verubecestat (MK-8931)-a beta-site amyloid precursor protein cleaving enzyme 1 inhibitor for the treatment of Alzheimer's disease. J. Med. Chem. 2016, 59 (23), 10435-10450, 10.1021/acs.jmedchem.6b00307
-
(2016)
J. Med. Chem.
, vol.59
, Issue.23
, pp. 10435-10450
-
-
Scott, J.D.1
Li, S.W.2
Brunskill, A.P.3
Chen, X.4
Cox, K.5
Cumming, J.N.6
Forman, M.7
Gilbert, E.J.8
Hodgson, R.A.9
Hyde, L.A.10
Jiang, Q.11
Iserloh, U.12
Kazakevich, I.13
Kuvelkar, R.14
Mei, H.15
Meredith, J.16
Misiaszek, J.17
Orth, P.18
Rossiter, L.M.19
Slater, M.20
Stone, J.21
Strickland, C.O.22
Voigt, J.H.23
Wang, G.24
Wang, H.25
Wu, Y.26
Greenlee, W.J.27
Parker, E.M.28
Kennedy, M.E.29
Stamford, A.W.30
more..
-
133
-
-
84862777524
-
Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor
-
Cumming, J. N.; Smith, E. M.; Wang, L.; Misiaszek, J.; Durkin, J.; Pan, J.; Iserloh, U.; Wu, Y.; Zhu, Z.; Strickland, C.; Voigt, J.; Chen, X.; Kennedy, M. E.; Kuvelkar, R.; Hyde, L. A.; Cox, K.; Favreau, L.; Czarniecki, M. F.; Greenlee, W. J.; McKittrick, B. A.; Parker, E. M.; Stamford, A. W. Structure based design of iminohydantoin BACE1 inhibitors: identification of an orally available, centrally active BACE1 inhibitor. Bioorg. Med. Chem. Lett. 2012, 22 (7), 2444-2449, 10.1016/j.bmcl.2012.02.013
-
(2012)
Bioorg. Med. Chem. Lett.
, vol.22
, Issue.7
, pp. 2444-2449
-
-
Cumming, J.N.1
Smith, E.M.2
Wang, L.3
Misiaszek, J.4
Durkin, J.5
Pan, J.6
Iserloh, U.7
Wu, Y.8
Zhu, Z.9
Strickland, C.10
Voigt, J.11
Chen, X.12
Kennedy, M.E.13
Kuvelkar, R.14
Hyde, L.A.15
Cox, K.16
Favreau, L.17
Czarniecki, M.F.18
Greenlee, W.J.19
McKittrick, B.A.20
Parker, E.M.21
Stamford, A.W.22
more..
-
134
-
-
84868540195
-
Discovery of an orally available, brain penetrant BACE1 inhibitor that affords robust CNS Abeta reduction
-
Stamford, A. W.; Scott, J. D.; Li, S. W.; Babu, S.; Tadesse, D.; Hunter, R.; Wu, Y.; Misiaszek, J.; Cumming, J. N.; Gilbert, E. J.; Huang, C.; McKittrick, B. A.; Hong, L.; Guo, T.; Zhu, Z.; Strickland, C.; Orth, P.; Voigt, J. H.; Kennedy, M. E.; Chen, X.; Kuvelkar, R.; Hodgson, R.; Hyde, L. A.; Cox, K.; Favreau, L.; Parker, E. M.; Greenlee, W. J. Discovery of an orally available, brain penetrant BACE1 inhibitor that affords robust CNS Abeta reduction. ACS Med. Chem. Lett. 2012, 3 (11), 897-902, 10.1021/ml3001165
-
(2012)
ACS Med. Chem. Lett.
, vol.3
, Issue.11
, pp. 897-902
-
-
Stamford, A.W.1
Scott, J.D.2
Li, S.W.3
Babu, S.4
Tadesse, D.5
Hunter, R.6
Wu, Y.7
Misiaszek, J.8
Cumming, J.N.9
Gilbert, E.J.10
Huang, C.11
McKittrick, B.A.12
Hong, L.13
Guo, T.14
Zhu, Z.15
Strickland, C.16
Orth, P.17
Voigt, J.H.18
Kennedy, M.E.19
Chen, X.20
Kuvelkar, R.21
Hodgson, R.22
Hyde, L.A.23
Cox, K.24
Favreau, L.25
Parker, E.M.26
Greenlee, W.J.27
more..
-
135
-
-
85029667687
-
BACE inhibitor bust in Alzheimer trial
-
Mullard, A. BACE inhibitor bust in Alzheimer trial. Nat. Rev. Drug Discovery 2017, 16 (3), 155, 10.1038/nrd.2017.43
-
(2017)
Nat. Rev. Drug Discovery
, vol.16
, Issue.3
, pp. 155
-
-
Mullard, A.1
-
136
-
-
84962138915
-
Structurally diverse mitochondrial branched chain aminotransferase (BCATm) leads with varying binding modes identified by fragment screening
-
Borthwick, J. A.; Ancellin, N.; Bertrand, S. M.; Bingham, R. P.; Carter, P. S.; Chung, C. W.; Churcher, I.; Dodic, N.; Fournier, C.; Francis, P. L.; Hobbs, A.; Jamieson, C.; Pickett, S. D.; Smith, S. E.; Somers, D. O.; Spitzfaden, C.; Suckling, C. J.; Young, R. J. Structurally diverse mitochondrial branched chain aminotransferase (BCATm) leads with varying binding modes identified by fragment screening. J. Med. Chem. 2016, 59 (6), 2452-2467, 10.1021/acs.jmedchem.5b01607
-
(2016)
J. Med. Chem.
, vol.59
, Issue.6
, pp. 2452-2467
-
-
Borthwick, J.A.1
Ancellin, N.2
Bertrand, S.M.3
Bingham, R.P.4
Carter, P.S.5
Chung, C.W.6
Churcher, I.7
Dodic, N.8
Fournier, C.9
Francis, P.L.10
Hobbs, A.11
Jamieson, C.12
Pickett, S.D.13
Smith, S.E.14
Somers, D.O.15
Spitzfaden, C.16
Suckling, C.J.17
Young, R.J.18
-
137
-
-
84942271775
-
The discovery of in vivo active mitochondrial branched-chain aminotransferase (BCATm) inhibitors by hybridizing fragment and HTS hits
-
Bertrand, S. M.; Ancellin, N.; Beaufils, B.; Bingham, R. P.; Borthwick, J. A.; Boullay, A. B.; Boursier, E.; Carter, P. S.; Chung, C. W.; Churcher, I.; Dodic, N.; Fouchet, M. H.; Fournier, C.; Francis, P. L.; Gummer, L. A.; Herry, K.; Hobbs, A.; Hobbs, C. I.; Homes, P.; Jamieson, C.; Nicodeme, E.; Pickett, S. D.; Reid, I. H.; Simpson, G. L.; Sloan, L. A.; Smith, S. E.; Somers, D. O.; Spitzfaden, C.; Suckling, C. J.; Valko, K.; Washio, Y.; Young, R. J. The discovery of in vivo active mitochondrial branched-chain aminotransferase (BCATm) inhibitors by hybridizing fragment and HTS hits. J. Med. Chem. 2015, 58 (18), 7140-7163, 10.1021/acs.jmedchem.5b00313
-
(2015)
J. Med. Chem.
, vol.58
, Issue.18
, pp. 7140-7163
-
-
Bertrand, S.M.1
Ancellin, N.2
Beaufils, B.3
Bingham, R.P.4
Borthwick, J.A.5
Boullay, A.B.6
Boursier, E.7
Carter, P.S.8
Chung, C.W.9
Churcher, I.10
Dodic, N.11
Fouchet, M.H.12
Fournier, C.13
Francis, P.L.14
Gummer, L.A.15
Herry, K.16
Hobbs, A.17
Hobbs, C.I.18
Homes, P.19
Jamieson, C.20
Nicodeme, E.21
Pickett, S.D.22
Reid, I.H.23
Simpson, G.L.24
Sloan, L.A.25
Smith, S.E.26
Somers, D.O.27
Spitzfaden, C.28
Suckling, C.J.29
Valko, K.30
Washio, Y.31
Young, R.J.32
more..
-
138
-
-
84938911306
-
Discovery, SAR, and X-ray binding mode study of BCATm inhibitors from a novel DNA-encoded library
-
Deng, H.; Zhou, J.; Sundersingh, F. S.; Summerfield, J.; Somers, D.; Messer, J. A.; Satz, A. L.; Ancellin, N.; Arico-Muendel, C. C.; Sargent Bedard, K. L.; Beljean, A.; Belyanskaya, S. L.; Bingham, R.; Smith, S. E.; Boursier, E.; Carter, P.; Centrella, P. A.; Clark, M. A.; Chung, C. W.; Davie, C. P.; Delorey, J. L.; Ding, Y.; Franklin, G. J.; Grady, L. C.; Herry, K.; Hobbs, C.; Kollmann, C. S.; Morgan, B. A.; Pothier Kaushansky, L. J.; Zhou, Q. Discovery, SAR, and X-ray binding mode study of BCATm inhibitors from a novel DNA-encoded library. ACS Med. Chem. Lett. 2015, 6 (8), 919-924, 10.1021/acsmedchemlett.5b00179
-
(2015)
ACS Med. Chem. Lett.
, vol.6
, Issue.8
, pp. 919-924
-
-
Deng, H.1
Zhou, J.2
Sundersingh, F.S.3
Summerfield, J.4
Somers, D.5
Messer, J.A.6
Satz, A.L.7
Ancellin, N.8
Arico-Muendel, C.C.9
Sargent Bedard, K.L.10
Beljean, A.11
Belyanskaya, S.L.12
Bingham, R.13
Smith, S.E.14
Boursier, E.15
Carter, P.16
Centrella, P.A.17
Clark, M.A.18
Chung, C.W.19
Davie, C.P.20
Delorey, J.L.21
Ding, Y.22
Franklin, G.J.23
Grady, L.C.24
Herry, K.25
Hobbs, C.26
Kollmann, C.S.27
Morgan, B.A.28
Pothier Kaushansky, L.J.29
Zhou, Q.30
more..
-
139
-
-
84965062164
-
Discovery and optimization of potent, selective, and in vivo efficacious 2-aryl benzimidazole BCATm inhibitors
-
Deng, H.; Zhou, J.; Sundersingh, F.; Messer, J. A.; Somers, D. O.; Ajakane, M.; Arico-Muendel, C. C.; Beljean, A.; Belyanskaya, S. L.; Bingham, R.; Blazensky, E.; Boullay, A. B.; Boursier, E.; Chai, J.; Carter, P.; Chung, C. W.; Daugan, A.; Ding, Y.; Herry, K.; Hobbs, C.; Humphries, E.; Kollmann, C.; Nguyen, V. L.; Nicodeme, E.; Smith, S. E.; Dodic, N.; Ancellin, N. Discovery and optimization of potent, selective, and in vivo efficacious 2-aryl benzimidazole BCATm inhibitors. ACS Med. Chem. Lett. 2016, 7 (4), 379-384, 10.1021/acsmedchemlett.5b00389
-
(2016)
ACS Med. Chem. Lett.
, vol.7
, Issue.4
, pp. 379-384
-
-
Deng, H.1
Zhou, J.2
Sundersingh, F.3
Messer, J.A.4
Somers, D.O.5
Ajakane, M.6
Arico-Muendel, C.C.7
Beljean, A.8
Belyanskaya, S.L.9
Bingham, R.10
Blazensky, E.11
Boullay, A.B.12
Boursier, E.13
Chai, J.14
Carter, P.15
Chung, C.W.16
Daugan, A.17
Ding, Y.18
Herry, K.19
Hobbs, C.20
Humphries, E.21
Kollmann, C.22
Nguyen, V.L.23
Nicodeme, E.24
Smith, S.E.25
Dodic, N.26
Ancellin, N.27
more..
-
140
-
-
0034597569
-
Resistance-modifying agents. 9. Synthesis and biological properties of benzimidazole inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase
-
White, A. W.; Almassy, R.; Calvert, A. H.; Curtin, N. J.; Griffin, R. J.; Hostomsky, Z.; Maegley, K.; Newell, D. R.; Srinivasan, S.; Golding, B. T. Resistance-modifying agents. 9. Synthesis and biological properties of benzimidazole inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase. J. Med. Chem. 2000, 43 (22), 4084-4097, 10.1021/jm000950v
-
(2000)
J. Med. Chem.
, vol.43
, Issue.22
, pp. 4084-4097
-
-
White, A.W.1
Almassy, R.2
Calvert, A.H.3
Curtin, N.J.4
Griffin, R.J.5
Hostomsky, Z.6
Maegley, K.7
Newell, D.R.8
Srinivasan, S.9
Golding, B.T.10
-
141
-
-
54549103449
-
4-[3-(4-Cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorobenzyl]-2H-phthalazin- 1-one: A novel bioavailable inhibitor of poly(ADP-ribose) polymerase-1
-
Menear, K. A.; Adcock, C.; Boulter, R.; Cockcroft, X. L.; Copsey, L.; Cranston, A.; Dillon, K. J.; Drzewiecki, J.; Garman, S.; Gomez, S.; Javaid, H.; Kerrigan, F.; Knights, C.; Lau, A.; Loh, V. M., Jr.; Matthews, I. T.; Moore, S.; O'Connor, M. J.; Smith, G. C.; Martin, N. M. 4-[3-(4-Cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorobenzyl]-2H-phthalazin- 1-one: a novel bioavailable inhibitor of poly(ADP-ribose) polymerase-1. J. Med. Chem. 2008, 51 (20), 6581-6591, 10.1021/jm8001263
-
(2008)
J. Med. Chem.
, vol.51
, Issue.20
, pp. 6581-6591
-
-
Menear, K.A.1
Adcock, C.2
Boulter, R.3
Cockcroft, X.L.4
Copsey, L.5
Cranston, A.6
Dillon, K.J.7
Drzewiecki, J.8
Garman, S.9
Gomez, S.10
Javaid, H.11
Kerrigan, F.12
Knights, C.13
Lau, A.14
Loh, V.M.15
Matthews, I.T.16
Moore, S.17
O'Connor, M.J.18
Smith, G.C.19
Martin, N.M.20
more..
-
142
-
-
34147182310
-
Preclinical selection of a novel poly(ADP-ribose) polymerase inhibitor for clinical trial
-
Thomas, H. D.; Calabrese, C. R.; Batey, M. A.; Canan, S.; Hostomsky, Z.; Kyle, S.; Maegley, K. A.; Newell, D. R.; Skalitzky, D.; Wang, L. Z.; Webber, S. E.; Curtin, N. J. Preclinical selection of a novel poly(ADP-ribose) polymerase inhibitor for clinical trial. Mol. Cancer Ther. 2007, 6 (3), 945-956, 10.1158/1535-7163.MCT-06-0552
-
(2007)
Mol. Cancer Ther.
, vol.6
, Issue.3
, pp. 945-956
-
-
Thomas, H.D.1
Calabrese, C.R.2
Batey, M.A.3
Canan, S.4
Hostomsky, Z.5
Kyle, S.6
Maegley, K.A.7
Newell, D.R.8
Skalitzky, D.9
Wang, L.Z.10
Webber, S.E.11
Curtin, N.J.12
-
143
-
-
60549117554
-
Discovery of the Poly(ADP-ribose) polymerase (PARP) inhibitor 2-[(R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (ABT-888) for the treatment of cancer
-
Penning, T. D.; Zhu, G. D.; Gandhi, V. B.; Gong, J.; Liu, X.; Shi, Y.; Klinghofer, V.; Johnson, E. F.; Donawho, C. K.; Frost, D. J.; Bontcheva-Diaz, V.; Bouska, J. J.; Osterling, D. J.; Olson, A. M.; Marsh, K. C.; Luo, Y.; Giranda, V. L. Discovery of the Poly(ADP-ribose) polymerase (PARP) inhibitor 2-[(R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (ABT-888) for the treatment of cancer. J. Med. Chem. 2009, 52 (2), 514-523, 10.1021/jm801171j
-
(2009)
J. Med. Chem.
, vol.52
, Issue.2
, pp. 514-523
-
-
Penning, T.D.1
Zhu, G.D.2
Gandhi, V.B.3
Gong, J.4
Liu, X.5
Shi, Y.6
Klinghofer, V.7
Johnson, E.F.8
Donawho, C.K.9
Frost, D.J.10
Bontcheva-Diaz, V.11
Bouska, J.J.12
Osterling, D.J.13
Olson, A.M.14
Marsh, K.C.15
Luo, Y.16
Giranda, V.L.17
-
144
-
-
54449102045
-
Group efficiency: A guideline for hits-to-leads chemistry
-
Verdonk, M. L.; Rees, D. C. Group efficiency: a guideline for hits-to-leads chemistry. ChemMedChem 2008, 3 (8), 1179-1180, 10.1002/cmdc.200800132
-
(2008)
ChemMedChem
, vol.3
, Issue.8
, pp. 1179-1180
-
-
Verdonk, M.L.1
Rees, D.C.2
-
145
-
-
84928501238
-
Niraparib: A poly(ADP-ribose) polymerase (PARP) inhibitor for the treatment of tumors with defective homologous recombination
-
Jones, P.; Wilcoxen, K.; Rowley, M.; Toniatti, C. Niraparib: a poly(ADP-ribose) polymerase (PARP) inhibitor for the treatment of tumors with defective homologous recombination. J. Med. Chem. 2015, 58 (8), 3302-3314, 10.1021/jm5018237
-
(2015)
J. Med. Chem.
, vol.58
, Issue.8
, pp. 3302-3314
-
-
Jones, P.1
Wilcoxen, K.2
Rowley, M.3
Toniatti, C.4
-
146
-
-
84955157633
-
Discovery and characterization of (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-te trahydro-3H-pyrido[4,3,2-de]phthalazin-3-one (BMN 673, talazoparib), a novel, highly potent, and orally efficacious poly(ADP-ribose) polymerase-1/2 inhibitor, as an anticancer agent
-
Wang, B.; Chu, D.; Feng, Y.; Shen, Y.; Aoyagi-Scharber, M.; Post, L. E. Discovery and characterization of (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-te trahydro-3H-pyrido[4,3,2-de]phthalazin-3-one (BMN 673, talazoparib), a novel, highly potent, and orally efficacious poly(ADP-ribose) polymerase-1/2 inhibitor, as an anticancer agent. J. Med. Chem. 2016, 59 (1), 335-357, 10.1021/acs.jmedchem.5b01498
-
(2016)
J. Med. Chem.
, vol.59
, Issue.1
, pp. 335-357
-
-
Wang, B.1
Chu, D.2
Feng, Y.3
Shen, Y.4
Aoyagi-Scharber, M.5
Post, L.E.6
-
147
-
-
85020427570
-
Phase I, dose-escalation, two-part trial of the PARP Inhibitor talazoparib in patients with advanced germline BRCA1/2 mutations and selected sporadic cancers
-
de Bono, J.; Ramanathan, R. K.; Mina, L.; Chugh, R.; Glaspy, J.; Rafii, S.; Kaye, S.; Sachdev, J.; Heymach, J.; Smith, D. C.; Henshaw, J. W.; Herriott, A.; Patterson, M.; Curtin, N. J.; Byers, L. A.; Wainberg, Z. A. Phase I, dose-escalation, two-part trial of the PARP Inhibitor talazoparib in patients with advanced germline BRCA1/2 mutations and selected sporadic cancers. Cancer Discovery 2017, 7 (6), 620-629, 10.1158/2159-8290.CD-16-1250
-
(2017)
Cancer Discovery
, vol.7
, Issue.6
, pp. 620-629
-
-
De Bono, J.1
Ramanathan, R.K.2
Mina, L.3
Chugh, R.4
Glaspy, J.5
Rafii, S.6
Kaye, S.7
Sachdev, J.8
Heymach, J.9
Smith, D.C.10
Henshaw, J.W.11
Herriott, A.12
Patterson, M.13
Curtin, N.J.14
Byers, L.A.15
Wainberg, Z.A.16
-
148
-
-
84894026316
-
Inhibiting the HIV integration process: Past, present, and the future
-
Di Santo, R. Inhibiting the HIV integration process: past, present, and the future. J. Med. Chem. 2014, 57 (3), 539-566, 10.1021/jm400674a
-
(2014)
J. Med. Chem.
, vol.57
, Issue.3
, pp. 539-566
-
-
Di Santo, R.1
-
149
-
-
0034723439
-
Inhibitors of strand transfer that prevent integration and inhibit HIV-1 replication in cells
-
Hazuda, D. J.; Felock, P.; Witmer, M.; Wolfe, A.; Stillmock, K.; Grobler, J. A.; Espeseth, A.; Gabryelski, L.; Schleif, W.; Blau, C.; Miller, M. D. Inhibitors of strand transfer that prevent integration and inhibit HIV-1 replication in cells. Science 2000, 287 (5453), 646-650, 10.1126/science.287.5453.646
-
(2000)
Science
, vol.287
, Issue.5453
, pp. 646-650
-
-
Hazuda, D.J.1
Felock, P.2
Witmer, M.3
Wolfe, A.4
Stillmock, K.5
Grobler, J.A.6
Espeseth, A.7
Gabryelski, L.8
Schleif, W.9
Blau, C.10
Miller, M.D.11
-
150
-
-
33751014050
-
4,5-Dihydroxypyrimidine carboxamides and N-alkyl-5-hydroxypyrimidinone carboxamides are potent, selective HIV integrase inhibitors with good pharmacokinetic profiles in preclinical species
-
Summa, V.; Petrocchi, A.; Matassa, V. G.; Gardelli, C.; Muraglia, E.; Rowley, M.; Paz, O. G.; Laufer, R.; Monteagudo, E.; Pace, P. 4,5-Dihydroxypyrimidine carboxamides and N-alkyl-5-hydroxypyrimidinone carboxamides are potent, selective HIV integrase inhibitors with good pharmacokinetic profiles in preclinical species. J. Med. Chem. 2006, 49 (23), 6646-6649, 10.1021/jm060854f
-
(2006)
J. Med. Chem.
, vol.49
, Issue.23
, pp. 6646-6649
-
-
Summa, V.1
Petrocchi, A.2
Matassa, V.G.3
Gardelli, C.4
Muraglia, E.5
Rowley, M.6
Paz, O.G.7
Laufer, R.8
Monteagudo, E.9
Pace, P.10
-
151
-
-
33846199468
-
From dihydroxypyrimidine carboxylic acids to carboxamide HIV-1 integrase inhibitors: SAR around the amide moiety
-
Petrocchi, A.; Koch, U.; Matassa, V. G.; Pacini, B.; Stillmock, K. A.; Summa, V. From dihydroxypyrimidine carboxylic acids to carboxamide HIV-1 integrase inhibitors: SAR around the amide moiety. Bioorg. Med. Chem. Lett. 2007, 17 (2), 350-353, 10.1016/j.bmcl.2006.10.054
-
(2007)
Bioorg. Med. Chem. Lett.
, vol.17
, Issue.2
, pp. 350-353
-
-
Petrocchi, A.1
Koch, U.2
Matassa, V.G.3
Pacini, B.4
Stillmock, K.A.5
Summa, V.6
-
152
-
-
52449097240
-
Discovery of raltegravir, a potent, selective orally bioavailable HIV-integrase inhibitor for the treatment of HIV-AIDS infection
-
Summa, V.; Petrocchi, A.; Bonelli, F.; Crescenzi, B.; Donghi, M.; Ferrara, M.; Fiore, F.; Gardelli, C.; Gonzalez Paz, O.; Hazuda, D. J.; Jones, P.; Kinzel, O.; Laufer, R.; Monteagudo, E.; Muraglia, E.; Nizi, E.; Orvieto, F.; Pace, P.; Pescatore, G.; Scarpelli, R.; Stillmock, K.; Witmer, M. V.; Rowley, M. Discovery of raltegravir, a potent, selective orally bioavailable HIV-integrase inhibitor for the treatment of HIV-AIDS infection. J. Med. Chem. 2008, 51 (18), 5843-5855, 10.1021/jm800245z
-
(2008)
J. Med. Chem.
, vol.51
, Issue.18
, pp. 5843-5855
-
-
Summa, V.1
Petrocchi, A.2
Bonelli, F.3
Crescenzi, B.4
Donghi, M.5
Ferrara, M.6
Fiore, F.7
Gardelli, C.8
Gonzalez Paz, O.9
Hazuda, D.J.10
Jones, P.11
Kinzel, O.12
Laufer, R.13
Monteagudo, E.14
Muraglia, E.15
Nizi, E.16
Orvieto, F.17
Pace, P.18
Pescatore, G.19
Scarpelli, R.20
Stillmock, K.21
Witmer, M.V.22
Rowley, M.23
more..
-
153
-
-
84880861322
-
Carbamoyl pyridone HIV-1 integrase inhibitors 3. A diastereomeric approach to chiral nonracemic tricyclic ring systems and the discovery of dolutegravir (S/GSK1349572) and (S/GSK1265744)
-
Johns, B. A.; Kawasuji, T.; Weatherhead, J. G.; Taishi, T.; Temelkoff, D. P.; Yoshida, H.; Akiyama, T.; Taoda, Y.; Murai, H.; Kiyama, R.; Fuji, M.; Tanimoto, N.; Jeffrey, J.; Foster, S. A.; Yoshinaga, T.; Seki, T.; Kobayashi, M.; Sato, A.; Johnson, M. N.; Garvey, E. P.; Fujiwara, T. Carbamoyl pyridone HIV-1 integrase inhibitors 3. A diastereomeric approach to chiral nonracemic tricyclic ring systems and the discovery of dolutegravir (S/GSK1349572) and (S/GSK1265744). J. Med. Chem. 2013, 56 (14), 5901-5916, 10.1021/jm400645w
-
(2013)
J. Med. Chem.
, vol.56
, Issue.14
, pp. 5901-5916
-
-
Johns, B.A.1
Kawasuji, T.2
Weatherhead, J.G.3
Taishi, T.4
Temelkoff, D.P.5
Yoshida, H.6
Akiyama, T.7
Taoda, Y.8
Murai, H.9
Kiyama, R.10
Fuji, M.11
Tanimoto, N.12
Jeffrey, J.13
Foster, S.A.14
Yoshinaga, T.15
Seki, T.16
Kobayashi, M.17
Sato, A.18
Johnson, M.N.19
Garvey, E.P.20
Fujiwara, T.21
more..
-
154
-
-
84873906217
-
Carbamoyl pyridone HIV-1 integrase inhibitors. 2. Bi- and tricyclic derivatives result in superior antiviral and pharmacokinetic profiles
-
Kawasuji, T.; Johns, B. A.; Yoshida, H.; Weatherhead, J. G.; Akiyama, T.; Taishi, T.; Taoda, Y.; Mikamiyama-Iwata, M.; Murai, H.; Kiyama, R.; Fuji, M.; Tanimoto, N.; Yoshinaga, T.; Seki, T.; Kobayashi, M.; Sato, A.; Garvey, E. P.; Fujiwara, T. Carbamoyl pyridone HIV-1 integrase inhibitors. 2. Bi- and tricyclic derivatives result in superior antiviral and pharmacokinetic profiles. J. Med. Chem. 2013, 56 (3), 1124-1135, 10.1021/jm301550c
-
(2013)
J. Med. Chem.
, vol.56
, Issue.3
, pp. 1124-1135
-
-
Kawasuji, T.1
Johns, B.A.2
Yoshida, H.3
Weatherhead, J.G.4
Akiyama, T.5
Taishi, T.6
Taoda, Y.7
Mikamiyama-Iwata, M.8
Murai, H.9
Kiyama, R.10
Fuji, M.11
Tanimoto, N.12
Yoshinaga, T.13
Seki, T.14
Kobayashi, M.15
Sato, A.16
Garvey, E.P.17
Fujiwara, T.18
-
155
-
-
84867801050
-
Carbamoyl pyridone HIV-1 integrase inhibitors. 1. Molecular design and establishment of an advanced two-metal binding pharmacophore
-
Kawasuji, T.; Johns, B. A.; Yoshida, H.; Taishi, T.; Taoda, Y.; Murai, H.; Kiyama, R.; Fuji, M.; Yoshinaga, T.; Seki, T.; Kobayashi, M.; Sato, A.; Fujiwara, T. Carbamoyl pyridone HIV-1 integrase inhibitors. 1. Molecular design and establishment of an advanced two-metal binding pharmacophore. J. Med. Chem. 2012, 55 (20), 8735-8744, 10.1021/jm3010459
-
(2012)
J. Med. Chem.
, vol.55
, Issue.20
, pp. 8735-8744
-
-
Kawasuji, T.1
Johns, B.A.2
Yoshida, H.3
Taishi, T.4
Taoda, Y.5
Murai, H.6
Kiyama, R.7
Fuji, M.8
Yoshinaga, T.9
Seki, T.10
Kobayashi, M.11
Sato, A.12
Fujiwara, T.13
-
156
-
-
68549115378
-
Quinolone carboxylic acids as a novel monoketo acid class of human immunodeficiency virus type 1 integrase inhibitors
-
Sato, M.; Kawakami, H.; Motomura, T.; Aramaki, H.; Matsuda, T.; Yamashita, M.; Ito, Y.; Matsuzaki, Y.; Yamataka, K.; Ikeda, S.; Shinkai, H. Quinolone carboxylic acids as a novel monoketo acid class of human immunodeficiency virus type 1 integrase inhibitors. J. Med. Chem. 2009, 52 (15), 4869-4882, 10.1021/jm900460z
-
(2009)
J. Med. Chem.
, vol.52
, Issue.15
, pp. 4869-4882
-
-
Sato, M.1
Kawakami, H.2
Motomura, T.3
Aramaki, H.4
Matsuda, T.5
Yamashita, M.6
Ito, Y.7
Matsuzaki, Y.8
Yamataka, K.9
Ikeda, S.10
Shinkai, H.11
-
157
-
-
84939865468
-
DNA compatible multistep synthesis and applications to DNA encoded libraries
-
Satz, A. L.; Cai, J.; Chen, Y.; Goodnow, R.; Gruber, F.; Kowalczyk, A.; Petersen, A.; Naderi-Oboodi, G.; Orzechowski, L.; Strebel, Q. DNA compatible multistep synthesis and applications to DNA encoded libraries. Bioconjugate Chem. 2015, 26 (8), 1623-1632, 10.1021/acs.bioconjchem.5b00239
-
(2015)
Bioconjugate Chem.
, vol.26
, Issue.8
, pp. 1623-1632
-
-
Satz, A.L.1
Cai, J.2
Chen, Y.3
Goodnow, R.4
Gruber, F.5
Kowalczyk, A.6
Petersen, A.7
Naderi-Oboodi, G.8
Orzechowski, L.9
Strebel, Q.10
-
158
-
-
84978909845
-
Novel p38α MAP kinase inhibitors identified from yoctoReactor DNA-encoded small molecule library
-
Petersen, L. K.; Blakskjær, P.; Chaikuad, A.; Christensen, A. B.; Dietvorst, J.; Holmkvist, J.; Knapp, S.; Kořínek, M.; Larsen, L. K.; Pedersen, A. E.; Röhm, S.; Sløk, F. A.; Hansen, N. J. V. Novel p38α MAP kinase inhibitors identified from yoctoReactor DNA-encoded small molecule library. MedChemComm 2016, 7 (7), 1332-1339, 10.1039/C6MD00241B
-
(2016)
MedChemComm
, vol.7
, Issue.7
, pp. 1332-1339
-
-
Petersen, L.K.1
Blakskjær, P.2
Chaikuad, A.3
Christensen, A.B.4
Dietvorst, J.5
Holmkvist, J.6
Knapp, S.7
Kořínek, M.8
Larsen, L.K.9
Pedersen, A.E.10
Röhm, S.11
Sløk, F.A.12
Hansen, N.J.V.13
-
159
-
-
85041820276
-
The drug-maker's guide to the galaxy
-
Mullard, A. The drug-maker's guide to the galaxy. Nature 2017, 549 (7673), 445-447, 10.1038/549445a
-
(2017)
Nature
, vol.549
, Issue.7673
, pp. 445-447
-
-
Mullard, A.1
-
160
-
-
85013762798
-
Discovery of a first-in-class receptor interacting protein 1 (RIP1) kinase specific clinical candidate (GSK2982772) for the treatment of inflammatory diseases
-
Harris, P. A.; Berger, S. B.; Jeong, J. U.; Nagilla, R.; Bandyopadhyay, D.; Campobasso, N.; Capriotti, C. A.; Cox, J. A.; Dare, L.; Dong, X.; Eidam, P. M.; Finger, J. N.; Hoffman, S. J.; Kang, J.; Kasparcova, V.; King, B. W.; Lehr, R.; Lan, Y.; Leister, L. K.; Lich, J. D.; MacDonald, T. T.; Miller, N. A.; Ouellette, M. T.; Pao, C. S.; Rahman, A.; Reilly, M. A.; Rendina, A. R.; Rivera, E. J.; Schaeffer, M. C.; Sehon, C. A.; Singhaus, R. R.; Sun, H. H.; Swift, B. A.; Totoritis, R. D.; Vossenkamper, A.; Ward, P.; Wisnoski, D. D.; Zhang, D.; Marquis, R. W.; Gough, P. J.; Bertin, J. Discovery of a first-in-class receptor interacting protein 1 (RIP1) kinase specific clinical candidate (GSK2982772) for the treatment of inflammatory diseases. J. Med. Chem. 2017, 60 (4), 1247-1261, 10.1021/acs.jmedchem.6b01751
-
(2017)
J. Med. Chem.
, vol.60
, Issue.4
, pp. 1247-1261
-
-
Harris, P.A.1
Berger, S.B.2
Jeong, J.U.3
Nagilla, R.4
Bandyopadhyay, D.5
Campobasso, N.6
Capriotti, C.A.7
Cox, J.A.8
Dare, L.9
Dong, X.10
Eidam, P.M.11
Finger, J.N.12
Hoffman, S.J.13
Kang, J.14
Kasparcova, V.15
King, B.W.16
Lehr, R.17
Lan, Y.18
Leister, L.K.19
Lich, J.D.20
MacDonald, T.T.21
Miller, N.A.22
Ouellette, M.T.23
Pao, C.S.24
Rahman, A.25
Reilly, M.A.26
Rendina, A.R.27
Rivera, E.J.28
Schaeffer, M.C.29
Sehon, C.A.30
Singhaus, R.R.31
Sun, H.H.32
Swift, B.A.33
Totoritis, R.D.34
Vossenkamper, A.35
Ward, P.36
Wisnoski, D.D.37
Zhang, D.38
Marquis, R.W.39
Gough, P.J.40
Bertin, J.41
more..
-
161
-
-
84961170811
-
DNA-Encoded library screening identifies benzo[b][1,4]oxazepin-4-ones as highly potent and monoselective receptor interacting protein 1 kinase inhibitors
-
Harris, P. A.; King, B. W.; Bandyopadhyay, D.; Berger, S. B.; Campobasso, N.; Capriotti, C. A.; Cox, J. A.; Dare, L.; Dong, X.; Finger, J. N.; Grady, L. C.; Hoffman, S. J.; Jeong, J. U.; Kang, J.; Kasparcova, V.; Lakdawala, A. S.; Lehr, R.; McNulty, D. E.; Nagilla, R.; Ouellette, M. T.; Pao, C. S.; Rendina, A. R.; Schaeffer, M. C.; Summerfield, J. D.; Swift, B. A.; Totoritis, R. D.; Ward, P.; Zhang, A.; Zhang, D.; Marquis, R. W.; Bertin, J.; Gough, P. J. DNA-Encoded library screening identifies benzo[b][1,4]oxazepin-4-ones as highly potent and monoselective receptor interacting protein 1 kinase inhibitors. J. Med. Chem. 2016, 59 (5), 2163-2178, 10.1021/acs.jmedchem.5b01898
-
(2016)
J. Med. Chem.
, vol.59
, Issue.5
, pp. 2163-2178
-
-
Harris, P.A.1
King, B.W.2
Bandyopadhyay, D.3
Berger, S.B.4
Campobasso, N.5
Capriotti, C.A.6
Cox, J.A.7
Dare, L.8
Dong, X.9
Finger, J.N.10
Grady, L.C.11
Hoffman, S.J.12
Jeong, J.U.13
Kang, J.14
Kasparcova, V.15
Lakdawala, A.S.16
Lehr, R.17
McNulty, D.E.18
Nagilla, R.19
Ouellette, M.T.20
Pao, C.S.21
Rendina, A.R.22
Schaeffer, M.C.23
Summerfield, J.D.24
Swift, B.A.25
Totoritis, R.D.26
Ward, P.27
Zhang, A.28
Zhang, D.29
Marquis, R.W.30
Bertin, J.31
Gough, P.J.32
more..
-
162
-
-
84872343093
-
Necrostatin-1 blocks both RIPK1 and IDO: Consequences for the study of cell death in experimental disease models
-
Vandenabeele, P.; Grootjans, S.; Callewaert, N.; Takahashi, N. Necrostatin-1 blocks both RIPK1 and IDO: consequences for the study of cell death in experimental disease models. Cell Death Differ. 2013, 20 (2), 185-187, 10.1038/cdd.2012.151
-
(2013)
Cell Death Differ.
, vol.20
, Issue.2
, pp. 185-187
-
-
Vandenabeele, P.1
Grootjans, S.2
Callewaert, N.3
Takahashi, N.4
-
163
-
-
33846913723
-
Structure-activity relationship analysis of a novel necroptosis inhibitor, necrostatin-5
-
Wang, K.; Li, J.; Degterev, A.; Hsu, E.; Yuan, J.; Yuan, C. Structure-activity relationship analysis of a novel necroptosis inhibitor, necrostatin-5. Bioorg. Med. Chem. Lett. 2007, 17 (5), 1455-1465, 10.1016/j.bmcl.2006.11.056
-
(2007)
Bioorg. Med. Chem. Lett.
, vol.17
, Issue.5
, pp. 1455-1465
-
-
Wang, K.1
Li, J.2
Degterev, A.3
Hsu, E.4
Yuan, J.5
Yuan, C.6
-
164
-
-
42249102086
-
Identification of RIP1 kinase as a specific cellular target of necrostatins
-
Degterev, A.; Hitomi, J.; Germscheid, M.; Ch'en, I. L.; Korkina, O.; Teng, X.; Abbott, D.; Cuny, G. D.; Yuan, C.; Wagner, G.; Hedrick, S. M.; Gerber, S. A.; Lugovskoy, A.; Yuan, J. Identification of RIP1 kinase as a specific cellular target of necrostatins. Nat. Chem. Biol. 2008, 4, 313-321, 10.1038/nchembio.83
-
(2008)
Nat. Chem. Biol.
, vol.4
, pp. 313-321
-
-
Degterev, A.1
Hitomi, J.2
Germscheid, M.3
Ch'En, I.L.4
Korkina, O.5
Teng, X.6
Abbott, D.7
Cuny, G.D.8
Yuan, C.9
Wagner, G.10
Hedrick, S.M.11
Gerber, S.A.12
Lugovskoy, A.13
Yuan, J.14
-
165
-
-
84890534620
-
Discovery of small molecule RIP1 kinase inhibitors for the treatment of pathologies associated with necroptosis
-
Harris, P. A.; Bandyopadhyay, D.; Berger, S. B.; Campobasso, N.; Capriotti, C. A.; Cox, J. A.; Dare, L.; Finger, J. N.; Hoffman, S. J.; Kahler, K. M.; Lehr, R.; Lich, J. D.; Nagilla, R.; Nolte, R. T.; Ouellette, M. T.; Pao, C. S.; Schaeffer, M. C.; Smallwood, A.; Sun, H. H.; Swift, B. A.; Totoritis, R. D.; Ward, P.; Marquis, R. W.; Bertin, J.; Gough, P. J. Discovery of small molecule RIP1 kinase inhibitors for the treatment of pathologies associated with necroptosis. ACS Med. Chem. Lett. 2013, 4 (12), 1238-1243, 10.1021/ml400382p
-
(2013)
ACS Med. Chem. Lett.
, vol.4
, Issue.12
, pp. 1238-1243
-
-
Harris, P.A.1
Bandyopadhyay, D.2
Berger, S.B.3
Campobasso, N.4
Capriotti, C.A.5
Cox, J.A.6
Dare, L.7
Finger, J.N.8
Hoffman, S.J.9
Kahler, K.M.10
Lehr, R.11
Lich, J.D.12
Nagilla, R.13
Nolte, R.T.14
Ouellette, M.T.15
Pao, C.S.16
Schaeffer, M.C.17
Smallwood, A.18
Sun, H.H.19
Swift, B.A.20
Totoritis, R.D.21
Ward, P.22
Marquis, R.W.23
Bertin, J.24
Gough, P.J.25
more..
-
166
-
-
85021779089
-
Clinical candidates of small molecule p38 MAPK inhibitors for inflammatory diseases
-
Xing, L. Clinical candidates of small molecule p38 MAPK inhibitors for inflammatory diseases. MAP Kinase 2016, 4 (1), 24-30, 10.4081/mk.2015.5508
-
(2016)
MAP Kinase
, vol.4
, Issue.1
, pp. 24-30
-
-
Xing, L.1
-
167
-
-
19944434344
-
Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation
-
Gill, A. L.; Frederickson, M.; Cleasby, A.; Woodhead, S. J.; Carr, M. G.; Woodhead, A. J.; Walker, M. T.; Congreve, M. S.; Devine, L. A.; Tisi, D.; O'Reilly, M.; Seavers, L. C.; Davis, D. J.; Curry, J.; Anthony, R.; Padova, A.; Murray, C. W.; Carr, R. A.; Jhoti, H. Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation. J. Med. Chem. 2005, 48 (2), 414-426, 10.1021/jm049575n
-
(2005)
J. Med. Chem.
, vol.48
, Issue.2
, pp. 414-426
-
-
Gill, A.L.1
Frederickson, M.2
Cleasby, A.3
Woodhead, S.J.4
Carr, M.G.5
Woodhead, A.J.6
Walker, M.T.7
Congreve, M.S.8
Devine, L.A.9
Tisi, D.10
O'Reilly, M.11
Seavers, L.C.12
Davis, D.J.13
Curry, J.14
Anthony, R.15
Padova, A.16
Murray, C.W.17
Carr, R.A.18
Jhoti, H.19
-
168
-
-
70349194480
-
Discovery of N-substituted pyridinones as potent and selective inhibitors of p38 kinase
-
Selness, S. R.; Devraj, R. V.; Monahan, J. B.; Boehm, T. L.; Walker, J. K.; Devadas, B.; Durley, R. C.; Kurumbail, R.; Shieh, H.; Xing, L.; Hepperle, M.; Rucker, P. V.; Jerome, K. D.; Benson, A. G.; Marrufo, L. D.; Madsen, H. M.; Hitchcock, J.; Owen, T. J.; Christie, L.; Promo, M. A.; Hickory, B. S.; Alvira, E.; Naing, W.; Blevis-Bal, R. Discovery of N-substituted pyridinones as potent and selective inhibitors of p38 kinase. Bioorg. Med. Chem. Lett. 2009, 19 (20), 5851-5856, 10.1016/j.bmcl.2009.08.082
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, Issue.20
, pp. 5851-5856
-
-
Selness, S.R.1
Devraj, R.V.2
Monahan, J.B.3
Boehm, T.L.4
Walker, J.K.5
Devadas, B.6
Durley, R.C.7
Kurumbail, R.8
Shieh, H.9
Xing, L.10
Hepperle, M.11
Rucker, P.V.12
Jerome, K.D.13
Benson, A.G.14
Marrufo, L.D.15
Madsen, H.M.16
Hitchcock, J.17
Owen, T.J.18
Christie, L.19
Promo, M.A.20
Hickory, B.S.21
Alvira, E.22
Naing, W.23
Blevis-Bal, R.24
more..
-
169
-
-
36148999414
-
Synthesis, crystal structure, and activity of pyrazole-based inhibitors of p38 kinase
-
Graneto, M. J.; Kurumbail, R. G.; Vazquez, M. L.; Shieh, H. S.; Pawlitz, J. L.; Williams, J. M.; Stallings, W. C.; Geng, L.; Naraian, A. S.; Koszyk, F. J.; Stealey, M. A.; Xu, X. D.; Weier, R. M.; Hanson, G. J.; Mourey, R. J.; Compton, R. P.; Mnich, S. J.; Anderson, G. D.; Monahan, J. B.; Devraj, R. Synthesis, crystal structure, and activity of pyrazole-based inhibitors of p38 kinase. J. Med. Chem. 2007, 50 (23), 5712-5719, 10.1021/jm0611915
-
(2007)
J. Med. Chem.
, vol.50
, Issue.23
, pp. 5712-5719
-
-
Graneto, M.J.1
Kurumbail, R.G.2
Vazquez, M.L.3
Shieh, H.S.4
Pawlitz, J.L.5
Williams, J.M.6
Stallings, W.C.7
Geng, L.8
Naraian, A.S.9
Koszyk, F.J.10
Stealey, M.A.11
Xu, X.D.12
Weier, R.M.13
Hanson, G.J.14
Mourey, R.J.15
Compton, R.P.16
Mnich, S.J.17
Anderson, G.D.18
Monahan, J.B.19
Devraj, R.20
more..
-
170
-
-
77950060672
-
Identification of SD-0006, a potent diaryl pyrazole inhibitor of p38 MAP kinase
-
Walker, J. K.; Selness, S. R.; Devraj, R. V.; Hepperle, M. E.; Naing, W.; Shieh, H.; Kurambail, R.; Yang, S.; Flynn, D. L.; Benson, A. G.; Messing, D. M.; Dice, T.; Kim, T.; Lindmark, R. J.; Monahan, J. B.; Portanova, J. Identification of SD-0006, a potent diaryl pyrazole inhibitor of p38 MAP kinase. Bioorg. Med. Chem. Lett. 2010, 20 (8), 2634-2638, 10.1016/j.bmcl.2010.02.047
-
(2010)
Bioorg. Med. Chem. Lett.
, vol.20
, Issue.8
, pp. 2634-2638
-
-
Walker, J.K.1
Selness, S.R.2
Devraj, R.V.3
Hepperle, M.E.4
Naing, W.5
Shieh, H.6
Kurambail, R.7
Yang, S.8
Flynn, D.L.9
Benson, A.G.10
Messing, D.M.11
Dice, T.12
Kim, T.13
Lindmark, R.J.14
Monahan, J.B.15
Portanova, J.16
-
171
-
-
70350077506
-
P38Alpha mitogen-activated protein kinase inhibitors: Optimization of a series of biphenylamides to give a molecule suitable for clinical progression
-
Aston, N. M.; Bamborough, P.; Buckton, J. B.; Edwards, C. D.; Holmes, D. S.; Jones, K. L.; Patel, V. K.; Smee, P. A.; Somers, D. O.; Vitulli, G.; Walker, A. L. p38Alpha mitogen-activated protein kinase inhibitors: optimization of a series of biphenylamides to give a molecule suitable for clinical progression. J. Med. Chem. 2009, 52 (20), 6257-6269, 10.1021/jm9004779
-
(2009)
J. Med. Chem.
, vol.52
, Issue.20
, pp. 6257-6269
-
-
Aston, N.M.1
Bamborough, P.2
Buckton, J.B.3
Edwards, C.D.4
Holmes, D.S.5
Jones, K.L.6
Patel, V.K.7
Smee, P.A.8
Somers, D.O.9
Vitulli, G.10
Walker, A.L.11
-
172
-
-
12444323524
-
Indole-based heterocyclic inhibitors of p38α MAP kinase: Designing a conformationally restricted analogue
-
Mavunkel, B. J.; Chakravarty, S.; Perumattam, J. J.; Luedtke, G. R.; Liang, X.; Lim, D.; Xu, Y.-j.; Laney, M.; Liu, D. Y.; Schreiner, G. F.; Lewicki, J. A.; Dugar, S. Indole-based heterocyclic inhibitors of p38α MAP kinase: designing a conformationally restricted analogue. Bioorg. Med. Chem. Lett. 2003, 13 (18), 3087-3090, 10.1016/S0960-894X(03)00653-X
-
(2003)
Bioorg. Med. Chem. Lett.
, vol.13
, Issue.18
, pp. 3087-3090
-
-
Mavunkel, B.J.1
Chakravarty, S.2
Perumattam, J.J.3
Luedtke, G.R.4
Liang, X.5
Lim, D.6
Laney, M.7
Liu, D.Y.8
Schreiner, G.F.9
Lewicki, J.A.10
Dugar, S.11
-
173
-
-
80054752044
-
The Discovery of VX-745: A novel and selective p38alpha kinase inhibitor
-
Duffy, J. P.; Harrington, E. M.; Salituro, F. G.; Cochran, J. E.; Green, J.; Gao, H.; Bemis, G. W.; Evindar, G.; Galullo, V. P.; Ford, P. J.; Germann, U. A.; Wilson, K. P.; Bellon, S. F.; Chen, G.; Taslimi, P.; Jones, P.; Huang, C.; Pazhanisamy, S.; Wang, Y. M.; Murcko, M. A.; Su, M. S. The Discovery of VX-745: A novel and selective p38alpha kinase inhibitor. ACS Med. Chem. Lett. 2011, 2 (10), 758-763, 10.1021/ml2001455
-
(2011)
ACS Med. Chem. Lett.
, vol.2
, Issue.10
, pp. 758-763
-
-
Duffy, J.P.1
Harrington, E.M.2
Salituro, F.G.3
Cochran, J.E.4
Green, J.5
Gao, H.6
Bemis, G.W.7
Evindar, G.8
Galullo, V.P.9
Ford, P.J.10
Germann, U.A.11
Wilson, K.P.12
Bellon, S.F.13
Chen, G.14
Taslimi, P.15
Jones, P.16
Huang, C.17
Pazhanisamy, S.18
Wang, Y.M.19
Murcko, M.A.20
Su, M.S.21
more..
-
174
-
-
18344395134
-
Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site
-
Pargellis, C.; Tong, L.; Churchill, L.; Cirillo, P. F.; Gilmore, T.; Graham, A. G.; Grob, P. M.; Hickey, E. R.; Moss, N.; Pav, S.; Regan, J. Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site. Nat. Struct. Biol. 2002, 9 (4), 268-272, 10.1038/nsb770
-
(2002)
Nat. Struct. Biol.
, vol.9
, Issue.4
, pp. 268-272
-
-
Pargellis, C.1
Tong, L.2
Churchill, L.3
Cirillo, P.F.4
Gilmore, T.5
Graham, A.G.6
Grob, P.M.7
Hickey, E.R.8
Moss, N.9
Pav, S.10
Regan, J.11
-
175
-
-
37549041341
-
Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode
-
Angell, R. M.; Bamborough, P.; Cleasby, A.; Cockerill, S. G.; Jones, K. L.; Mooney, C. J.; Somers, D. O.; Walker, A. L. Biphenyl amide p38 kinase inhibitors 1: discovery and binding mode. Bioorg. Med. Chem. Lett. 2008, 18 (1), 318-323, 10.1016/j.bmcl.2007.10.076
-
(2008)
Bioorg. Med. Chem. Lett.
, vol.18
, Issue.1
, pp. 318-323
-
-
Angell, R.M.1
Bamborough, P.2
Cleasby, A.3
Cockerill, S.G.4
Jones, K.L.5
Mooney, C.J.6
Somers, D.O.7
Walker, A.L.8
-
176
-
-
37549034256
-
Biphenyl amide p38 kinase inhibitors 2: Optimisation and SAR
-
Angell, R. M.; Angell, T. D.; Bamborough, P.; Brown, D.; Brown, M.; Buckton, J. B.; Cockerill, S. G.; Edwards, C. D.; Jones, K. L.; Longstaff, T.; Smee, P. A.; Smith, K. J.; Somers, D. O.; Walker, A. L.; Willson, M. Biphenyl amide p38 kinase inhibitors 2: optimisation and SAR. Bioorg. Med. Chem. Lett. 2008, 18 (1), 324-328, 10.1016/j.bmcl.2007.10.043
-
(2008)
Bioorg. Med. Chem. Lett.
, vol.18
, Issue.1
, pp. 324-328
-
-
Angell, R.M.1
Angell, T.D.2
Bamborough, P.3
Brown, D.4
Brown, M.5
Buckton, J.B.6
Cockerill, S.G.7
Edwards, C.D.8
Jones, K.L.9
Longstaff, T.10
Smee, P.A.11
Smith, K.J.12
Somers, D.O.13
Walker, A.L.14
Willson, M.15
-
177
-
-
47749150617
-
Biphenyl amide p38 kinase inhibitors 3: Improvement of cellular and in vivo activity
-
Angell, R.; Aston, N. M.; Bamborough, P.; Buckton, J. B.; Cockerill, S.; deBoeck, S. J.; Edwards, C. D.; Holmes, D. S.; Jones, K. L.; Laine, D. I.; Patel, S.; Smee, P. A.; Smith, K. J.; Somers, D. O.; Walker, A. L. Biphenyl amide p38 kinase inhibitors 3: improvement of cellular and in vivo activity. Bioorg. Med. Chem. Lett. 2008, 18 (15), 4428-4432, 10.1016/j.bmcl.2008.06.048
-
(2008)
Bioorg. Med. Chem. Lett.
, vol.18
, Issue.15
, pp. 4428-4432
-
-
Angell, R.1
Aston, N.M.2
Bamborough, P.3
Buckton, J.B.4
Cockerill, S.5
DeBoeck, S.J.6
Edwards, C.D.7
Holmes, D.S.8
Jones, K.L.9
Laine, D.I.10
Patel, S.11
Smee, P.A.12
Smith, K.J.13
Somers, D.O.14
Walker, A.L.15
-
178
-
-
47749106789
-
Biphenyl amide p38 kinase inhibitors 4: DFG-in and DFG-out binding modes
-
Angell, R. M.; Angell, T. D.; Bamborough, P.; Bamford, M. J.; Chung, C. W.; Cockerill, S. G.; Flack, S. S.; Jones, K. L.; Laine, D. I.; Longstaff, T.; Ludbrook, S.; Pearson, R.; Smith, K. J.; Smee, P. A.; Somers, D. O.; Walker, A. L. Biphenyl amide p38 kinase inhibitors 4: DFG-in and DFG-out binding modes. Bioorg. Med. Chem. Lett. 2008, 18 (15), 4433-4437, 10.1016/j.bmcl.2008.06.028
-
(2008)
Bioorg. Med. Chem. Lett.
, vol.18
, Issue.15
, pp. 4433-4437
-
-
Angell, R.M.1
Angell, T.D.2
Bamborough, P.3
Bamford, M.J.4
Chung, C.W.5
Cockerill, S.G.6
Flack, S.S.7
Jones, K.L.8
Laine, D.I.9
Longstaff, T.10
Ludbrook, S.11
Pearson, R.12
Smith, K.J.13
Smee, P.A.14
Somers, D.O.15
Walker, A.L.16
-
179
-
-
79958711683
-
Discovery of PH-797804, a highly selective and potent inhibitor of p38 MAP kinase
-
Selness, S. R.; Devraj, R. V.; Devadas, B.; Walker, J. K.; Boehm, T. L.; Durley, R. C.; Shieh, H.; Xing, L.; Rucker, P. V.; Jerome, K. D.; Benson, A. G.; Marrufo, L. D.; Madsen, H. M.; Hitchcock, J.; Owen, T. J.; Christie, L.; Promo, M. A.; Hickory, B. S.; Alvira, E.; Naing, W.; Blevis-Bal, R.; Messing, D.; Yang, J.; Mao, M. K.; Yalamanchili, G.; Vonder Embse, R.; Hirsch, J.; Saabye, M.; Bonar, S.; Webb, E.; Anderson, G.; Monahan, J. B. Discovery of PH-797804, a highly selective and potent inhibitor of p38 MAP kinase. Bioorg. Med. Chem. Lett. 2011, 21 (13), 4066-4071, 10.1016/j.bmcl.2011.04.121
-
(2011)
Bioorg. Med. Chem. Lett.
, vol.21
, Issue.13
, pp. 4066-4071
-
-
Selness, S.R.1
Devraj, R.V.2
Devadas, B.3
Walker, J.K.4
Boehm, T.L.5
Durley, R.C.6
Shieh, H.7
Xing, L.8
Rucker, P.V.9
Jerome, K.D.10
Benson, A.G.11
Marrufo, L.D.12
Madsen, H.M.13
Hitchcock, J.14
Owen, T.J.15
Christie, L.16
Promo, M.A.17
Hickory, B.S.18
Alvira, E.19
Naing, W.20
Blevis-Bal, R.21
Messing, D.22
Yang, J.23
Mao, M.K.24
Yalamanchili, G.25
Vonder Embse, R.26
Hirsch, J.27
Saabye, M.28
Bonar, S.29
Webb, E.30
Anderson, G.31
Monahan, J.B.32
more..
-
180
-
-
84908371107
-
Discovery of a potent and selective EGFR inhibitor (AZD9291) of both sensitizing and T790M resistance mutations that spares the wild type form of the receptor
-
Finlay, M. R.; Anderton, M.; Ashton, S.; Ballard, P.; Bethel, P. A.; Box, M. R.; Bradbury, R. H.; Brown, S. J.; Butterworth, S.; Campbell, A.; Chorley, C.; Colclough, N.; Cross, D. A.; Currie, G. S.; Grist, M.; Hassall, L.; Hill, G. B.; James, D.; James, M.; Kemmitt, P.; Klinowska, T.; Lamont, G.; Lamont, S. G.; Martin, N.; McFarland, H. L.; Mellor, M. J.; Orme, J. P.; Perkins, D.; Perkins, P.; Richmond, G.; Smith, P.; Ward, R. A.; Waring, M. J.; Whittaker, D.; Wells, S.; Wrigley, G. L. Discovery of a potent and selective EGFR inhibitor (AZD9291) of both sensitizing and T790M resistance mutations that spares the wild type form of the receptor. J. Med. Chem. 2014, 57 (20), 8249-8267, 10.1021/jm500973a
-
(2014)
J. Med. Chem.
, vol.57
, Issue.20
, pp. 8249-8267
-
-
Finlay, M.R.1
Anderton, M.2
Ashton, S.3
Ballard, P.4
Bethel, P.A.5
Box, M.R.6
Bradbury, R.H.7
Brown, S.J.8
Butterworth, S.9
Campbell, A.10
Chorley, C.11
Colclough, N.12
Cross, D.A.13
Currie, G.S.14
Grist, M.15
Hassall, L.16
Hill, G.B.17
James, D.18
James, M.19
Kemmitt, P.20
Klinowska, T.21
Lamont, G.22
Lamont, S.G.23
Martin, N.24
McFarland, H.L.25
Mellor, M.J.26
Orme, J.P.27
Perkins, D.28
Perkins, P.29
Richmond, G.30
Smith, P.31
Ward, R.A.32
Waring, M.J.33
Whittaker, D.34
Wells, S.35
Wrigley, G.L.36
more..
-
181
-
-
84960910347
-
Discovery of 1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a potent, WT sparing, irreversible inhibitor of T790M-containing EGFR mutants
-
Cheng, H.; Nair, S. K.; Murray, B. W.; Almaden, C.; Bailey, S.; Baxi, S.; Behenna, D.; Cho-Schultz, S.; Dalvie, D.; Dinh, D. M.; Edwards, M. P.; Feng, J. L.; Ferre, R. A.; Gajiwala, K. S.; Hemkens, M. D.; Jackson-Fisher, A.; Jalaie, M.; Johnson, T. O.; Kania, R. S.; Kephart, S.; Lafontaine, J.; Lunney, B.; Liu, K. K.; Liu, Z.; Matthews, J.; Nagata, A.; Niessen, S.; Ornelas, M. A.; Orr, S. T.; Pairish, M.; Planken, S.; Ren, S.; Richter, D.; Ryan, K.; Sach, N.; Shen, H.; Smeal, T.; Solowiej, J.; Sutton, S.; Tran, K.; Tseng, E.; Vernier, W.; Walls, M.; Wang, S.; Weinrich, S. L.; Xin, S.; Xu, H.; Yin, M. J.; Zientek, M.; Zhou, R.; Kath, J. C. Discovery of 1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a potent, WT sparing, irreversible inhibitor of T790M-containing EGFR mutants. J. Med. Chem. 2016, 59 (5), 2005-2024, 10.1021/acs.jmedchem.5b01633
-
(2016)
J. Med. Chem.
, vol.59
, Issue.5
, pp. 2005-2024
-
-
Cheng, H.1
Nair, S.K.2
Murray, B.W.3
Almaden, C.4
Bailey, S.5
Baxi, S.6
Behenna, D.7
Cho-Schultz, S.8
Dalvie, D.9
Dinh, D.M.10
Edwards, M.P.11
Feng, J.L.12
Ferre, R.A.13
Gajiwala, K.S.14
Hemkens, M.D.15
Jackson-Fisher, A.16
Jalaie, M.17
Johnson, T.O.18
Kania, R.S.19
Kephart, S.20
Lafontaine, J.21
Lunney, B.22
Liu, K.K.23
Liu, Z.24
Matthews, J.25
Nagata, A.26
Niessen, S.27
Ornelas, M.A.28
Orr, S.T.29
Pairish, M.30
Planken, S.31
Ren, S.32
Richter, D.33
Ryan, K.34
Sach, N.35
Shen, H.36
Smeal, T.37
Solowiej, J.38
Sutton, S.39
Tran, K.40
Tseng, E.41
Vernier, W.42
Walls, M.43
Wang, S.44
Weinrich, S.L.45
Xin, S.46
Xu, H.47
Yin, M.J.48
Zientek, M.49
Zhou, R.50
Kath, J.C.51
more..
-
182
-
-
85017666129
-
Discovery of N-((3R,4R)-4-fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H- purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through structure-based drug design: A high affinity irreversible inhibitor targeting oncogenic EGFR mutants with selectivity over wild-type EGFR
-
Planken, S.; Behenna, D. C.; Nair, S. K.; Johnson, T. O.; Nagata, A.; Almaden, C.; Bailey, S.; Ballard, T. E.; Bernier, L.; Cheng, H.; Cho-Schultz, S.; Dalvie, D.; Deal, J. G.; Dinh, D. M.; Edwards, M. P.; Ferre, R. A.; Gajiwala, K. S.; Hemkens, M.; Kania, R. S.; Kath, J. C.; Matthews, J.; Murray, B. W.; Niessen, S.; Orr, S. T.; Pairish, M.; Sach, N. W.; Shen, H.; Shi, M.; Solowiej, J.; Tran, K.; Tseng, E.; Vicini, P.; Wang, Y.; Weinrich, S. L.; Zhou, R.; Zientek, M.; Liu, L.; Luo, Y.; Xin, S.; Zhang, C.; Lafontaine, J. Discovery of N-((3R,4R)-4-fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H- purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through structure-based drug design: a high affinity irreversible inhibitor targeting oncogenic EGFR mutants with selectivity over wild-type EGFR. J. Med. Chem. 2017, 60 (7), 3002-3019, 10.1021/acs.jmedchem.6b01894
-
(2017)
J. Med. Chem.
, vol.60
, Issue.7
, pp. 3002-3019
-
-
Planken, S.1
Behenna, D.C.2
Nair, S.K.3
Johnson, T.O.4
Nagata, A.5
Almaden, C.6
Bailey, S.7
Ballard, T.E.8
Bernier, L.9
Cheng, H.10
Cho-Schultz, S.11
Dalvie, D.12
Deal, J.G.13
Dinh, D.M.14
Edwards, M.P.15
Ferre, R.A.16
Gajiwala, K.S.17
Hemkens, M.18
Kania, R.S.19
Kath, J.C.20
Matthews, J.21
Murray, B.W.22
Niessen, S.23
Orr, S.T.24
Pairish, M.25
Sach, N.W.26
Shen, H.27
Shi, M.28
Solowiej, J.29
Tran, K.30
Tseng, E.31
Vicini, P.32
Wang, Y.33
Weinrich, S.L.34
Zhou, R.35
Zientek, M.36
Liu, L.37
Luo, Y.38
Xin, S.39
Zhang, C.40
Lafontaine, J.41
more..
-
183
-
-
84884243421
-
Structure- and reactivity-based development of covalent inhibitors of the activating and gatekeeper mutant forms of the epidermal growth factor receptor (EGFR)
-
Ward, R. A.; Anderton, M. J.; Ashton, S.; Bethel, P. A.; Box, M.; Butterworth, S.; Colclough, N.; Chorley, C. G.; Chuaqui, C.; Cross, D. A.; Dakin, L. A.; Debreczeni, J. E.; Eberlein, C.; Finlay, M. R.; Hill, G. B.; Grist, M.; Klinowska, T. C.; Lane, C.; Martin, S.; Orme, J. P.; Smith, P.; Wang, F.; Waring, M. J. Structure- and reactivity-based development of covalent inhibitors of the activating and gatekeeper mutant forms of the epidermal growth factor receptor (EGFR). J. Med. Chem. 2013, 56 (17), 7025-7048, 10.1021/jm400822z
-
(2013)
J. Med. Chem.
, vol.56
, Issue.17
, pp. 7025-7048
-
-
Ward, R.A.1
Anderton, M.J.2
Ashton, S.3
Bethel, P.A.4
Box, M.5
Butterworth, S.6
Colclough, N.7
Chorley, C.G.8
Chuaqui, C.9
Cross, D.A.10
Dakin, L.A.11
Debreczeni, J.E.12
Eberlein, C.13
Finlay, M.R.14
Hill, G.B.15
Grist, M.16
Klinowska, T.C.17
Lane, C.18
Martin, S.19
Orme, J.P.20
Smith, P.21
Wang, F.22
Waring, M.J.23
more..
-
184
-
-
79952921586
-
Navigating the kinome
-
Metz, J. T.; Johnson, E. F.; Soni, N. B.; Merta, P. J.; Kifle, L.; Hajduk, P. J. Navigating the kinome. Nat. Chem. Biol. 2011, 7 (4), 200-202, 10.1038/nchembio.530
-
(2011)
Nat. Chem. Biol.
, vol.7
, Issue.4
, pp. 200-202
-
-
Metz, J.T.1
Johnson, E.F.2
Soni, N.B.3
Merta, P.J.4
Kifle, L.5
Hajduk, P.J.6
-
185
-
-
85030723605
-
Proteome-wide map of targets of T790M-EGFR-directed covalent inhibitors
-
Niessen, S.; Dix, M. M.; Barbas, S.; Potter, Z. E.; Lu, S.; Brodsky, O.; Planken, S.; Behenna, D.; Almaden, C.; Gajiwala, K. S.; Ryan, K.; Ferre, R.; Lazear, M. R.; Hayward, M. M.; Kath, J. C.; Cravatt, B. F. Proteome-wide map of targets of T790M-EGFR-directed covalent inhibitors. Cell Chem. Biol. 2017, 24 (11), 1388-1400, 10.1016/j.chembiol.2017.08.017
-
(2017)
Cell Chem. Biol.
, vol.24
, Issue.11
, pp. 1388-1400
-
-
Niessen, S.1
Dix, M.M.2
Barbas, S.3
Potter, Z.E.4
Lu, S.5
Brodsky, O.6
Planken, S.7
Behenna, D.8
Almaden, C.9
Gajiwala, K.S.10
Ryan, K.11
Ferre, R.12
Lazear, M.R.13
Hayward, M.M.14
Kath, J.C.15
Cravatt, B.F.16
-
186
-
-
84979895476
-
Discovery of (R,E)-N-(7-chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imid azol-2-yl)-2-methylisonicotinamide (EGF816), a novel, potent, and WT sparing covalent inhibitor of oncogenic (L858R, ex19del) and resistant (T790M) EGFR mutants for the treatment of EGFR mutant non-small-cell lung cancers
-
Lelais, G.; Epple, R.; Marsilje, T. H.; Long, Y. O.; McNeill, M.; Chen, B.; Lu, W.; Anumolu, J.; Badiger, S.; Bursulaya, B.; DiDonato, M.; Fong, R.; Juarez, J.; Li, J.; Manuia, M.; Mason, D. E.; Gordon, P.; Groessl, T.; Johnson, K.; Jia, Y.; Kasibhatla, S.; Li, C.; Isbell, J.; Spraggon, G.; Bender, S.; Michellys, P. Y. Discovery of (R,E)-N-(7-chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imid azol-2-yl)-2-methylisonicotinamide (EGF816), a novel, potent, and WT sparing covalent inhibitor of oncogenic (L858R, ex19del) and resistant (T790M) EGFR mutants for the treatment of EGFR mutant non-small-cell lung cancers. J. Med. Chem. 2016, 59 (14), 6671-6689, 10.1021/acs.jmedchem.5b01985
-
(2016)
J. Med. Chem.
, vol.59
, Issue.14
, pp. 6671-6689
-
-
Lelais, G.1
Epple, R.2
Marsilje, T.H.3
Long, Y.O.4
McNeill, M.5
Chen, B.6
Lu, W.7
Anumolu, J.8
Badiger, S.9
Bursulaya, B.10
DiDonato, M.11
Fong, R.12
Juarez, J.13
Li, J.14
Manuia, M.15
Mason, D.E.16
Gordon, P.17
Groessl, T.18
Johnson, K.19
Jia, Y.20
Kasibhatla, S.21
Li, C.22
Isbell, J.23
Spraggon, G.24
Bender, S.25
Michellys, P.Y.26
more..
-
187
-
-
84991376225
-
Discovery of a noncovalent, mutant-selective epidermal growth factor receptor inhibitor
-
Chan, B. K.; Hanan, E. J.; Bowman, K. K.; Bryan, M. C.; Burdick, D.; Chan, E.; Chen, Y.; Clausen, S.; Dela Vega, T.; Dotson, J.; Eigenbrot, C.; Elliott, R. L.; Heald, R. A.; Jackson, P. S.; Knight, J. D.; La, H.; Lainchbury, M. D.; Malek, S.; Purkey, H. E.; Schaefer, G.; Schmidt, S.; Seward, E. M.; Sideris, S.; Shao, L.; Wang, S.; Yeap, S. K.; Yen, I.; Yu, C.; Heffron, T. P. Discovery of a noncovalent, mutant-selective epidermal growth factor receptor inhibitor. J. Med. Chem. 2016, 59 (19), 9080-9093, 10.1021/acs.jmedchem.6b00995
-
(2016)
J. Med. Chem.
, vol.59
, Issue.19
, pp. 9080-9093
-
-
Chan, B.K.1
Hanan, E.J.2
Bowman, K.K.3
Bryan, M.C.4
Burdick, D.5
Chan, E.6
Chen, Y.7
Clausen, S.8
Dela Vega, T.9
Dotson, J.10
Eigenbrot, C.11
Elliott, R.L.12
Heald, R.A.13
Jackson, P.S.14
Knight, J.D.15
La, H.16
Lainchbury, M.D.17
Malek, S.18
Purkey, H.E.19
Schaefer, G.20
Schmidt, S.21
Seward, E.M.22
Sideris, S.23
Shao, L.24
Wang, S.25
Yeap, S.K.26
Yen, I.27
Yu, C.28
Heffron, T.P.29
more..
-
188
-
-
84890963021
-
Structural basis of AMPK regulation by small molecule activators
-
Xiao, B.; Sanders, M. J.; Carmena, D.; Bright, N. J.; Haire, L. F.; Underwood, E.; Patel, B. R.; Heath, R. B.; Walker, P. A.; Hallen, S.; Giordanetto, F.; Martin, S. R.; Carling, D.; Gamblin, S. J. Structural basis of AMPK regulation by small molecule activators. Nat. Commun. 2013, 4, 3017, 10.1038/ncomms4017
-
(2013)
Nat. Commun.
, vol.4
, pp. 3017
-
-
Xiao, B.1
Sanders, M.J.2
Carmena, D.3
Bright, N.J.4
Haire, L.F.5
Underwood, E.6
Patel, B.R.7
Heath, R.B.8
Walker, P.A.9
Hallen, S.10
Giordanetto, F.11
Martin, S.R.12
Carling, D.13
Gamblin, S.J.14
-
189
-
-
85033385940
-
Hit-to-lead optimization and discovery of 5-((5-([1,1′-biphenyl]-4-yl)-6-chloro-1H-benzo[d]imidazol-2-yl)oxy)-2-methylbenzozic acid (MK-3903): A novel class of benzimidazole-based activators of AMP-activated protein kinase
-
Lan, P.; Romero, F. A.; Wodka, D.; Kassick, A. J.; Dang, Q.; Gibson, T.; Cashion, D.; Zhou, G.; Chen, Y.; Zhang, X.; Zhang, A.; Li, Y.; Trujillo, M. E.; Shao, Q.; Wu, M.; Xu, S.; He, H.; MacKenna, D.; Staunton, J.; Chapman, K. T.; Weber, A.; Sebhat, I. K.; Makara, G. M. Hit-to-lead optimization and discovery of 5-((5-([1,1′-biphenyl]-4-yl)-6-chloro-1H-benzo[d]imidazol-2-yl)oxy)-2-methylbenzozic acid (MK-3903): a novel class of benzimidazole-based activators of AMP-activated protein kinase. J. Med. Chem. 2017, 60 (21), 9040-9052, 10.1021/acs.jmedchem.7b01344
-
(2017)
J. Med. Chem.
, vol.60
, Issue.21
, pp. 9040-9052
-
-
Lan, P.1
Romero, F.A.2
Wodka, D.3
Kassick, A.J.4
Dang, Q.5
Gibson, T.6
Cashion, D.7
Zhou, G.8
Chen, Y.9
Zhang, X.10
Zhang, A.11
Li, Y.12
Trujillo, M.E.13
Shao, Q.14
Wu, M.15
Xu, S.16
He, H.17
MacKenna, D.18
Staunton, J.19
Chapman, K.T.20
Weber, A.21
Sebhat, I.K.22
Makara, G.M.23
more..
-
190
-
-
85041594043
-
Discovery of MK-8722: A systemic, direct pan-activator of AMP-activated protein kinase
-
Feng, D.; Biftu, T.; Romero, F. A.; Kekec, A.; Dropinski, J.; Kassick, A.; Xu, S.; Kurtz, M. M.; Gollapudi, A.; Shao, Q.; Yang, X.; Lu, K.; Zhou, G.; Kemp, D.; Myers, R. W.; Guan, H.-P.; Trujillo, M. E.; Li, C.; Weber, A.; Sebhat, I. K. Discovery of MK-8722: A systemic, direct pan-activator of AMP-activated protein kinase. ACS Med. Chem. Lett. 2018, 9 (1), 39-44, 10.1021/acsmedchemlett.7b00417
-
(2018)
ACS Med. Chem. Lett.
, vol.9
, Issue.1
, pp. 39-44
-
-
Feng, D.1
Biftu, T.2
Romero, F.A.3
Kekec, A.4
Dropinski, J.5
Kassick, A.6
Xu, S.7
Kurtz, M.M.8
Gollapudi, A.9
Shao, Q.10
Yang, X.11
Lu, K.12
Zhou, G.13
Kemp, D.14
Myers, R.W.15
Guan, H.-P.16
Trujillo, M.E.17
Li, C.18
Weber, A.19
Sebhat, I.K.20
more..
-
191
-
-
85024504894
-
Systemic pan-AMPK activator MK-8722 improves glucose homeostasis but induces cardiac hypertrophy
-
Myers, R. W.; Guan, H. P.; Ehrhart, J.; Petrov, A.; Prahalada, S.; Tozzo, E.; Yang, X.; Kurtz, M. M.; Trujillo, M.; Gonzalez Trotter, D.; Feng, D.; Xu, S.; Eiermann, G.; Holahan, M. A.; Rubins, D.; Conarello, S.; Niu, X.; Souza, S. C.; Miller, C.; Liu, J.; Lu, K.; Feng, W.; Li, Y.; Painter, R. E.; Milligan, J. A.; He, H.; Liu, F.; Ogawa, A.; Wisniewski, D.; Rohm, R. J.; Wang, L.; Bunzel, M.; Qian, Y.; Zhu, W.; Wang, H.; Bennet, B.; LaFranco Scheuch, L.; Fernandez, G. E.; Li, C.; Klimas, M.; Zhou, G.; van Heek, M.; Biftu, T.; Weber, A.; Kelley, D. E.; Thornberry, N.; Erion, M. D.; Kemp, D. M.; Sebhat, I. K. Systemic pan-AMPK activator MK-8722 improves glucose homeostasis but induces cardiac hypertrophy. Science 2017, 357 (6350), 507-511, 10.1126/science.aah5582
-
(2017)
Science
, vol.357
, Issue.6350
, pp. 507-511
-
-
Myers, R.W.1
Guan, H.P.2
Ehrhart, J.3
Petrov, A.4
Prahalada, S.5
Tozzo, E.6
Yang, X.7
Kurtz, M.M.8
Trujillo, M.9
Gonzalez Trotter, D.10
Feng, D.11
Xu, S.12
Eiermann, G.13
Holahan, M.A.14
Rubins, D.15
Conarello, S.16
Niu, X.17
Souza, S.C.18
Miller, C.19
Liu, J.20
Lu, K.21
Feng, W.22
Li, Y.23
Painter, R.E.24
Milligan, J.A.25
He, H.26
Liu, F.27
Ogawa, A.28
Wisniewski, D.29
Rohm, R.J.30
Wang, L.31
Bunzel, M.32
Qian, Y.33
Zhu, W.34
Wang, H.35
Bennet, B.36
LaFranco Scheuch, L.37
Fernandez, G.E.38
Li, C.39
Klimas, M.40
Zhou, G.41
Van Heek, M.42
Biftu, T.43
Weber, A.44
Kelley, D.E.45
Thornberry, N.46
Erion, M.D.47
Kemp, D.M.48
Sebhat, I.K.49
more..
-
192
-
-
84986538891
-
Discovery and preclinical characterization of 6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid (PF-06409577), a direct activator of adenosine monophosphate-activated protein kinase (AMPK), for the potential treatment of diabetic nephropathy
-
Cameron, K. O.; Kung, D. W.; Kalgutkar, A. S.; Kurumbail, R. G.; Miller, R.; Salatto, C. T.; Ward, J.; Withka, J. M.; Bhattacharya, S. K.; Boehm, M.; Borzilleri, K. A.; Brown, J. A.; Calabrese, M.; Caspers, N. L.; Cokorinos, E.; Conn, E. L.; Dowling, M. S.; Edmonds, D. J.; Eng, H.; Fernando, D. P.; Frisbie, R.; Hepworth, D.; Landro, J.; Mao, Y.; Rajamohan, F.; Reyes, A. R.; Rose, C. R.; Ryder, T.; Shavnya, A.; Smith, A. C.; Tu, M.; Wolford, A. C.; Xiao, J. Discovery and preclinical characterization of 6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid (PF-06409577), a direct activator of adenosine monophosphate-activated protein kinase (AMPK), for the potential treatment of diabetic nephropathy. J. Med. Chem. 2016, 59 (17), 8068-8081, 10.1021/acs.jmedchem.6b00866
-
(2016)
J. Med. Chem.
, vol.59
, Issue.17
, pp. 8068-8081
-
-
Cameron, K.O.1
Kung, D.W.2
Kalgutkar, A.S.3
Kurumbail, R.G.4
Miller, R.5
Salatto, C.T.6
Ward, J.7
Withka, J.M.8
Bhattacharya, S.K.9
Boehm, M.10
Borzilleri, K.A.11
Brown, J.A.12
Calabrese, M.13
Caspers, N.L.14
Cokorinos, E.15
Conn, E.L.16
Dowling, M.S.17
Edmonds, D.J.18
Eng, H.19
Fernando, D.P.20
Frisbie, R.21
Hepworth, D.22
Landro, J.23
Mao, Y.24
Rajamohan, F.25
Reyes, A.R.26
Rose, C.R.27
Ryder, T.28
Shavnya, A.29
Smith, A.C.30
Tu, M.31
Wolford, A.C.32
Xiao, J.33
more..
-
193
-
-
0035953319
-
Property-based design: Optimization of drug absorption and pharmacokinetics
-
van De Waterbeemd, H.; Smith, D. A.; Beaumont, K.; Walker, D. K. Property-based design: optimization of drug absorption and pharmacokinetics. J. Med. Chem. 2001, 44 (9), 1313-1333, 10.1021/jm000407e
-
(2001)
J. Med. Chem.
, vol.44
, Issue.9
, pp. 1313-1333
-
-
Van De Waterbeemd, H.1
Smith, D.A.2
Beaumont, K.3
Walker, D.K.4
-
194
-
-
84991333684
-
Standing on the shoulders of giants: A retrospective analysis of kinase drug discovery at AstraZeneca
-
Kettle, J. G.; Wilson, D. M. Standing on the shoulders of giants: a retrospective analysis of kinase drug discovery at AstraZeneca. Drug Discovery Today 2016, 21 (10), 1596-1608, 10.1016/j.drudis.2016.06.007
-
(2016)
Drug Discovery Today
, vol.21
, Issue.10
, pp. 1596-1608
-
-
Kettle, J.G.1
Wilson, D.M.2
-
195
-
-
84875195051
-
Contributions of molecular properties to drug promiscuity
-
Tarcsay, á.; KeseruÌ, G. M. Contributions of molecular properties to drug promiscuity. J. Med. Chem. 2013, 56 (5), 1789-1795, 10.1021/jm301514n
-
(2013)
J. Med. Chem.
, vol.56
, Issue.5
, pp. 1789-1795
-
-
Tarcsay, A.1
KeseruÌ, G.M.2
-
196
-
-
84983670454
-
Curing hepatitis C virus infection with direct-acting antiviral agents: The arc of a medicinal chemistry triumph
-
Meanwell, N. A. Curing hepatitis C virus infection with direct-acting antiviral agents: the arc of a medicinal chemistry triumph. J. Med. Chem. 2016, 59 (16), 7311-7351, 10.1021/acs.jmedchem.6b00915
-
(2016)
J. Med. Chem.
, vol.59
, Issue.16
, pp. 7311-7351
-
-
Meanwell, N.A.1
-
197
-
-
33749241866
-
Discovery of (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]- 3-[2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (SCH 503034), a selective, potent, orally bioavailable hepatitis C virus NS3 protease inhibitor: A potential therapeutic agent for the treatment of hepatitis C infection
-
Venkatraman, S.; Bogen, S. L.; Arasappan, A.; Bennett, F.; Chen, K.; Jao, E.; Liu, Y. T.; Lovey, R.; Hendrata, S.; Huang, Y.; Pan, W.; Parekh, T.; Pinto, P.; Popov, V.; Pike, R.; Ruan, S.; Santhanam, B.; Vibulbhan, B.; Wu, W.; Yang, W.; Kong, J.; Liang, X.; Wong, J.; Liu, R.; Butkiewicz, N.; Chase, R.; Hart, A.; Agrawal, S.; Ingravallo, P.; Pichardo, J.; Kong, R.; Baroudy, B.; Malcolm, B.; Guo, Z.; Prongay, A.; Madison, V.; Broske, L.; Cui, X.; Cheng, K. C.; Hsieh, Y.; Brisson, J. M.; Prelusky, D.; Korfmacher, W.; White, R.; Bogdanowich-Knipp, S.; Pavlovsky, A.; Bradley, P.; Saksena, A. K.; Ganguly, A.; Piwinski, J.; Girijavallabhan, V.; Njoroge, F. G. Discovery of (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]- 3-[2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (SCH 503034), a selective, potent, orally bioavailable hepatitis C virus NS3 protease inhibitor: a potential therapeutic agent for the treatment of hepatitis C infection. J. Med. Chem. 2006, 49 (20), 6074-6086, 10.1021/jm060325b
-
(2006)
J. Med. Chem.
, vol.49
, Issue.20
, pp. 6074-6086
-
-
Venkatraman, S.1
Bogen, S.L.2
Arasappan, A.3
Bennett, F.4
Chen, K.5
Jao, E.6
Liu, Y.T.7
Lovey, R.8
Hendrata, S.9
Huang, Y.10
Pan, W.11
Parekh, T.12
Pinto, P.13
Popov, V.14
Pike, R.15
Ruan, S.16
Santhanam, B.17
Vibulbhan, B.18
Wu, W.19
Yang, W.20
Kong, J.21
Liang, X.22
Wong, J.23
Liu, R.24
Butkiewicz, N.25
Chase, R.26
Hart, A.27
Agrawal, S.28
Ingravallo, P.29
Pichardo, J.30
Kong, R.31
Baroudy, B.32
Malcolm, B.33
Guo, Z.34
Prongay, A.35
Madison, V.36
Broske, L.37
Cui, X.38
Cheng, K.C.39
Hsieh, Y.40
Brisson, J.M.41
Prelusky, D.42
Korfmacher, W.43
White, R.44
Bogdanowich-Knipp, S.45
Pavlovsky, A.46
Bradley, P.47
Saksena, A.K.48
Ganguly, A.49
Piwinski, J.50
Girijavallabhan, V.51
Njoroge, F.G.52
more..
-
198
-
-
80755159054
-
Discovery and development of telaprevir: An NS3-4A protease inhibitor for treating genotype 1 chronic hepatitis C virus
-
Kwong, A. D.; Kauffman, R. S.; Hurter, P.; Mueller, P. Discovery and development of telaprevir: an NS3-4A protease inhibitor for treating genotype 1 chronic hepatitis C virus. Nat. Biotechnol. 2011, 29 (11), 993-1003, 10.1038/nbt.2020
-
(2011)
Nat. Biotechnol.
, vol.29
, Issue.11
, pp. 993-1003
-
-
Kwong, A.D.1
Kauffman, R.S.2
Hurter, P.3
Mueller, P.4
-
199
-
-
0037471233
-
Macrocyclic inhibitors of the NS3 protease as potential therapeutic agents of hepatitis C virus infection
-
Tsantrizos, Y. S.; Bolger, G.; Bonneau, P.; Cameron, D. R.; Goudreau, N.; Kukolj, G.; LaPlante, S. R.; Llinas-Brunet, M.; Nar, H.; Lamarre, D. Macrocyclic inhibitors of the NS3 protease as potential therapeutic agents of hepatitis C virus infection. Angew. Chem., Int. Ed. 2003, 42 (12), 1356-1360, 10.1002/anie.200390347
-
(2003)
Angew. Chem., Int. Ed.
, vol.42
, Issue.12
, pp. 1356-1360
-
-
Tsantrizos, Y.S.1
Bolger, G.2
Bonneau, P.3
Cameron, D.R.4
Goudreau, N.5
Kukolj, G.6
LaPlante, S.R.7
Llinas-Brunet, M.8
Nar, H.9
Lamarre, D.10
-
200
-
-
12144290054
-
Structure-activity study on a novel series of macrocyclic inhibitors of the hepatitis C virus NS3 protease leading to the discovery of BILN 2061
-
Llinas-Brunet, M.; Bailey, M. D.; Bolger, G.; Brochu, C.; Faucher, A. M.; Ferland, J. M.; Garneau, M.; Ghiro, E.; Gorys, V.; Grand-Maitre, C.; Halmos, T.; Lapeyre-Paquette, N.; Liard, F.; Poirier, M.; Rheaume, M.; Tsantrizos, Y. S.; Lamarre, D. Structure-activity study on a novel series of macrocyclic inhibitors of the hepatitis C virus NS3 protease leading to the discovery of BILN 2061. J. Med. Chem. 2004, 47 (7), 1605-1608, 10.1021/jm0342414
-
(2004)
J. Med. Chem.
, vol.47
, Issue.7
, pp. 1605-1608
-
-
Llinas-Brunet, M.1
Bailey, M.D.2
Bolger, G.3
Brochu, C.4
Faucher, A.M.5
Ferland, J.M.6
Garneau, M.7
Ghiro, E.8
Gorys, V.9
Grand-Maitre, C.10
Halmos, T.11
Lapeyre-Paquette, N.12
Liard, F.13
Poirier, M.14
Rheaume, M.15
Tsantrizos, Y.S.16
Lamarre, D.17
-
201
-
-
41849092643
-
Molecular modeling based approach to potent P2-P4 macrocyclic inhibitors of hepatitis C NS3/4A protease
-
Liverton, N. J.; Holloway, M. K.; McCauley, J. A.; Rudd, M. T.; Butcher, J. W.; Carroll, S. S.; DiMuzio, J.; Fandozzi, C.; Gilbert, K. F.; Mao, S. S.; McIntyre, C. J.; Nguyen, K. T.; Romano, J. J.; Stahlhut, M.; Wan, B. L.; Olsen, D. B.; Vacca, J. P. Molecular modeling based approach to potent P2-P4 macrocyclic inhibitors of hepatitis C NS3/4A protease. J. Am. Chem. Soc. 2008, 130 (14), 4607-4609, 10.1021/ja711120r
-
(2008)
J. Am. Chem. Soc.
, vol.130
, Issue.14
, pp. 4607-4609
-
-
Liverton, N.J.1
Holloway, M.K.2
McCauley, J.A.3
Rudd, M.T.4
Butcher, J.W.5
Carroll, S.S.6
DiMuzio, J.7
Fandozzi, C.8
Gilbert, K.F.9
Mao, S.S.10
McIntyre, C.J.11
Nguyen, K.T.12
Romano, J.J.13
Stahlhut, M.14
Wan, B.L.15
Olsen, D.B.16
Vacca, J.P.17
-
202
-
-
79952662135
-
Discovery of MK-1220: A macrocyclic inhibitor of hepatitis C virus NS3/4A protease with improved preclinical plasma exposure
-
Rudd, M. T.; McCauley, J. A.; Butcher, J. W.; Romano, J. J.; McIntyre, C. J.; Nguyen, K. T.; Gilbert, K. F.; Bush, K. J.; Holloway, M. K.; Swestock, J.; Wan, B. L.; Carroll, S. S.; DiMuzio, J. M.; Graham, D. J.; Ludmerer, S. W.; Stahlhut, M. W.; Fandozzi, C. M.; Trainor, N.; Olsen, D. B.; Vacca, J. P.; Liverton, N. J. Discovery of MK-1220: A macrocyclic inhibitor of hepatitis C virus NS3/4A protease with improved preclinical plasma exposure. ACS Med. Chem. Lett. 2011, 2 (3), 207-212, 10.1021/ml1002426
-
(2011)
ACS Med. Chem. Lett.
, vol.2
, Issue.3
, pp. 207-212
-
-
Rudd, M.T.1
McCauley, J.A.2
Butcher, J.W.3
Romano, J.J.4
McIntyre, C.J.5
Nguyen, K.T.6
Gilbert, K.F.7
Bush, K.J.8
Holloway, M.K.9
Swestock, J.10
Wan, B.L.11
Carroll, S.S.12
DiMuzio, J.M.13
Graham, D.J.14
Ludmerer, S.W.15
Stahlhut, M.W.16
Fandozzi, C.M.17
Trainor, N.18
Olsen, D.B.19
Vacca, J.P.20
Liverton, N.J.21
more..
-
203
-
-
77949803029
-
Discovery of vaniprevir (MK-7009), a macrocyclic hepatitis C virus NS3/4a protease inhibitor
-
McCauley, J. A.; McIntyre, C. J.; Rudd, M. T.; Nguyen, K. T.; Romano, J. J.; Butcher, J. W.; Gilbert, K. F.; Bush, K. J.; Holloway, M. K.; Swestock, J.; Wan, B. L.; Carroll, S. S.; DiMuzio, J. M.; Graham, D. J.; Ludmerer, S. W.; Mao, S. S.; Stahlhut, M. W.; Fandozzi, C. M.; Trainor, N.; Olsen, D. B.; Vacca, J. P.; Liverton, N. J. Discovery of vaniprevir (MK-7009), a macrocyclic hepatitis C virus NS3/4a protease inhibitor. J. Med. Chem. 2010, 53 (6), 2443-2463, 10.1021/jm9015526
-
(2010)
J. Med. Chem.
, vol.53
, Issue.6
, pp. 2443-2463
-
-
McCauley, J.A.1
McIntyre, C.J.2
Rudd, M.T.3
Nguyen, K.T.4
Romano, J.J.5
Butcher, J.W.6
Gilbert, K.F.7
Bush, K.J.8
Holloway, M.K.9
Swestock, J.10
Wan, B.L.11
Carroll, S.S.12
DiMuzio, J.M.13
Graham, D.J.14
Ludmerer, S.W.15
Mao, S.S.16
Stahlhut, M.W.17
Fandozzi, C.M.18
Trainor, N.19
Olsen, D.B.20
Vacca, J.P.21
Liverton, N.J.22
more..
-
204
-
-
84859752422
-
Discovery of MK-5172, a macrocyclic hepatitis C virus NS3/4a protease inhibitor
-
Harper, S.; McCauley, J. A.; Rudd, M. T.; Ferrara, M.; DiFilippo, M.; Crescenzi, B.; Koch, U.; Petrocchi, A.; Holloway, M. K.; Butcher, J. W.; Romano, J. J.; Bush, K. J.; Gilbert, K. F.; McIntyre, C. J.; Nguyen, K. T.; Nizi, E.; Carroll, S. S.; Ludmerer, S. W.; Burlein, C.; DiMuzio, J. M.; Graham, D. J.; McHale, C. M.; Stahlhut, M. W.; Olsen, D. B.; Monteagudo, E.; Cianetti, S.; Giuliano, C.; Pucci, V.; Trainor, N.; Fandozzi, C. M.; Rowley, M.; Coleman, P. J.; Vacca, J. P.; Summa, V.; Liverton, N. J. Discovery of MK-5172, a macrocyclic hepatitis C virus NS3/4a protease inhibitor. ACS Med. Chem. Lett. 2012, 3 (4), 332-336, 10.1021/ml300017p
-
(2012)
ACS Med. Chem. Lett.
, vol.3
, Issue.4
, pp. 332-336
-
-
Harper, S.1
McCauley, J.A.2
Rudd, M.T.3
Ferrara, M.4
DiFilippo, M.5
Crescenzi, B.6
Koch, U.7
Petrocchi, A.8
Holloway, M.K.9
Butcher, J.W.10
Romano, J.J.11
Bush, K.J.12
Gilbert, K.F.13
McIntyre, C.J.14
Nguyen, K.T.15
Nizi, E.16
Carroll, S.S.17
Ludmerer, S.W.18
Burlein, C.19
DiMuzio, J.M.20
Graham, D.J.21
McHale, C.M.22
Stahlhut, M.W.23
Olsen, D.B.24
Monteagudo, E.25
Cianetti, S.26
Giuliano, C.27
Pucci, V.28
Trainor, N.29
Fandozzi, C.M.30
Rowley, M.31
Coleman, P.J.32
Vacca, J.P.33
Summa, V.34
Liverton, N.J.35
more..
-
205
-
-
84978639831
-
GS-9857 in patients with chronic hepatitis C virus genotype 1-4 infection: A randomized, double-blind, dose-ranging phase 1 study
-
Rodriguez-Torres, M.; Glass, S.; Hill, J.; Freilich, B.; Hassman, D.; Di Bisceglie, A. M.; Taylor, J. G.; Kirby, B. J.; Dvory-Sobol, H.; Yang, J. C.; An, D.; Stamm, L. M.; Brainard, D. M.; Kim, S.; Krefetz, D.; Smith, W.; Marbury, T.; Lawitz, E. GS-9857 in patients with chronic hepatitis C virus genotype 1-4 infection: a randomized, double-blind, dose-ranging phase 1 study. J. Viral Hepat. 2016, 23 (8), 614-622, 10.1111/jvh.12527
-
(2016)
J. Viral Hepat.
, vol.23
, Issue.8
, pp. 614-622
-
-
Rodriguez-Torres, M.1
Glass, S.2
Hill, J.3
Freilich, B.4
Hassman, D.5
Di Bisceglie, A.M.6
Taylor, J.G.7
Kirby, B.J.8
Dvory-Sobol, H.9
Yang, J.C.10
An, D.11
Stamm, L.M.12
Brainard, D.M.13
Kim, S.14
Krefetz, D.15
Smith, W.16
Marbury, T.17
Lawitz, E.18
-
206
-
-
84994874029
-
P0899: Preclinical profile of the pan-genotypic HCV NS3/4A protease inhibitor GS-9857
-
Taylor, J. G.; Appleby, T.; Barauskas, O.; Chen, X.; Dvory-Sobol, H.; Gong, R.; Lee, J.; Nejati, E.; Schultz, B.; Wang, Y.; Yang, C.; Yu, M.; Zipfel, S.; Chan, K. P0899: Preclinical profile of the pan-genotypic HCV NS3/4A protease inhibitor GS-9857. J. Hepatol. 2015, 62, S681, 10.1016/S0168-8278(15)31102-8
-
(2015)
J. Hepatol.
, vol.62
, pp. S681
-
-
Taylor, J.G.1
Appleby, T.2
Barauskas, O.3
Chen, X.4
Dvory-Sobol, H.5
Gong, R.6
Lee, J.7
Nejati, E.8
Schultz, B.9
Wang, Y.10
Yang, C.11
Yu, M.12
Zipfel, S.13
Chan, K.14
-
207
-
-
84960340712
-
Potent antiviral activities of the direct-acting antivirals ABT-493 and ABT-530 with three-day monotherapy for hepatitis C virus genotype 1 infection
-
Lawitz, E. J.; O'Riordan, W. D.; Asatryan, A.; Freilich, B. L.; Box, T. D.; Overcash, J. S.; Lovell, S.; Ng, T. I.; Liu, W.; Campbell, A.; Lin, C. W.; Yao, B.; Kort, J. Potent antiviral activities of the direct-acting antivirals ABT-493 and ABT-530 with three-day monotherapy for hepatitis C virus genotype 1 infection. Antimicrob. Agents Chemother. 2016, 60 (3), 1546-1555, 10.1128/AAC.02264-15
-
(2016)
Antimicrob. Agents Chemother.
, vol.60
, Issue.3
, pp. 1546-1555
-
-
Lawitz, E.J.1
O'Riordan, W.D.2
Asatryan, A.3
Freilich, B.L.4
Box, T.D.5
Overcash, J.S.6
Lovell, S.7
Ng, T.I.8
Liu, W.9
Campbell, A.10
Lin, C.W.11
Yao, B.12
Kort, J.13
-
208
-
-
84896266984
-
Discovery and development of simeprevir (TMC435), a HCV NS3/4A protease inhibitor
-
Rosenquist, A.; Samuelsson, B.; Johansson, P. O.; Cummings, M. D.; Lenz, O.; Raboisson, P.; Simmen, K.; Vendeville, S.; de Kock, H.; Nilsson, M.; Horvath, A.; Kalmeijer, R.; de la Rosa, G.; Beumont-Mauviel, M. Discovery and development of simeprevir (TMC435), a HCV NS3/4A protease inhibitor. J. Med. Chem. 2014, 57 (5), 1673-1693, 10.1021/jm401507s
-
(2014)
J. Med. Chem.
, vol.57
, Issue.5
, pp. 1673-1693
-
-
Rosenquist, A.1
Samuelsson, B.2
Johansson, P.O.3
Cummings, M.D.4
Lenz, O.5
Raboisson, P.6
Simmen, K.7
Vendeville, S.8
De Kock, H.9
Nilsson, M.10
Horvath, A.11
Kalmeijer, R.12
De La Rosa, G.13
Beumont-Mauviel, M.14
-
209
-
-
84921905663
-
In vitro and in vivo antiviral activity and resistance profile of the hepatitis C virus NS3/4A protease inhibitor ABT-450
-
Pilot-Matias, T.; Tripathi, R.; Cohen, D.; Gaultier, I.; Dekhtyar, T.; Lu, L.; Reisch, T.; Irvin, M.; Hopkins, T.; Pithawalla, R.; Middleton, T.; Ng, T.; McDaniel, K.; Or, Y. S.; Menon, R.; Kempf, D.; Molla, A.; Collins, C. In vitro and in vivo antiviral activity and resistance profile of the hepatitis C virus NS3/4A protease inhibitor ABT-450. Antimicrob. Agents Chemother. 2015, 59 (2), 988-997, 10.1128/AAC.04227-14
-
(2015)
Antimicrob. Agents Chemother.
, vol.59
, Issue.2
, pp. 988-997
-
-
Pilot-Matias, T.1
Tripathi, R.2
Cohen, D.3
Gaultier, I.4
Dekhtyar, T.5
Lu, L.6
Reisch, T.7
Irvin, M.8
Hopkins, T.9
Pithawalla, R.10
Middleton, T.11
Ng, T.12
McDaniel, K.13
Or, Y.S.14
Menon, R.15
Kempf, D.16
Molla, A.17
Collins, C.18
-
210
-
-
84892163643
-
Macrocyclic drugs and clinical candidates: What can medicinal chemists learn from their properties?
-
Giordanetto, F.; Kihlberg, J. Macrocyclic drugs and clinical candidates: what can medicinal chemists learn from their properties?. J. Med. Chem. 2014, 57 (2), 278-295, 10.1021/jm400887j
-
(2014)
J. Med. Chem.
, vol.57
, Issue.2
, pp. 278-295
-
-
Giordanetto, F.1
Kihlberg, J.2
-
211
-
-
84935898517
-
Probing the physicochemical boundaries of cell permeability and oral bioavailability in lipophilic macrocycles inspired by natural products
-
Bockus, A. T.; Lexa, K. W.; Pye, C. R.; Kalgutkar, A. S.; Gardner, J. W.; Hund, K. C.; Hewitt, W. M.; Schwochert, J. A.; Glassey, E.; Price, D. A.; Mathiowetz, A. M.; Liras, S.; Jacobson, M. P.; Lokey, R. S. Probing the physicochemical boundaries of cell permeability and oral bioavailability in lipophilic macrocycles inspired by natural products. J. Med. Chem. 2015, 58 (11), 4581-4589, 10.1021/acs.jmedchem.5b00128
-
(2015)
J. Med. Chem.
, vol.58
, Issue.11
, pp. 4581-4589
-
-
Bockus, A.T.1
Lexa, K.W.2
Pye, C.R.3
Kalgutkar, A.S.4
Gardner, J.W.5
Hund, K.C.6
Hewitt, W.M.7
Schwochert, J.A.8
Glassey, E.9
Price, D.A.10
Mathiowetz, A.M.11
Liras, S.12
Jacobson, M.P.13
Lokey, R.S.14
-
212
-
-
84909586310
-
Oral druggable space beyond the rule of 5: Insights from drugs and clinical candidates
-
Doak, B. C.; Over, B.; Giordanetto, F.; Kihlberg, J. Oral druggable space beyond the rule of 5: insights from drugs and clinical candidates. Chem. Biol. 2014, 21 (9), 1115-1142, 10.1016/j.chembiol.2014.08.013
-
(2014)
Chem. Biol.
, vol.21
, Issue.9
, pp. 1115-1142
-
-
Doak, B.C.1
Over, B.2
Giordanetto, F.3
Kihlberg, J.4
-
213
-
-
84906307859
-
How proteins bind macrocycles
-
Villar, E. A.; Beglov, D.; Chennamadhavuni, S.; Porco, J. A., Jr; Kozakov, D.; Vajda, S.; Whitty, A. How proteins bind macrocycles. Nat. Chem. Biol. 2014, 10, 723-731, 10.1038/nchembio.1584
-
(2014)
Nat. Chem. Biol.
, vol.10
, pp. 723-731
-
-
Villar, E.A.1
Beglov, D.2
Chennamadhavuni, S.3
Porco, J.A.4
Kozakov, D.5
Vajda, S.6
Whitty, A.7
-
214
-
-
84964799737
-
Cell permeability beyond the rule of 5
-
Matsson, P.; Doak, B. C.; Over, B.; Kihlberg, J. Cell permeability beyond the rule of 5. Adv. Drug Delivery Rev. 2016, 101 (Suppl. C), 42-61, 10.1016/j.addr.2016.03.013
-
(2016)
Adv. Drug Delivery Rev.
, vol.101
, pp. 42-61
-
-
Matsson, P.1
Doak, B.C.2
Over, B.3
Kihlberg, J.4
-
215
-
-
85051271796
-
-
Telaprevir label. (accessed February 2).
-
Telaprevir label. https://www.accessdata.fda.gov/drugsatfda-docs/label/2011/201917lbl.pdf (accessed February 2, 2018).
-
(2018)
-
-
-
216
-
-
84896272204
-
Hepatitis C virus NS5A replication complex inhibitors: The discovery of daclatasvir
-
Belema, M.; Nguyen, V. N.; Bachand, C.; Deon, D. H.; Goodrich, J. T.; James, C. A.; Lavoie, R.; Lopez, O. D.; Martel, A.; Romine, J. L.; Ruediger, E. H.; Snyder, L. B.; St. Laurent, D. R.; Yang, F.; Zhu, J.; Wong, H. S.; Langley, D. R.; Adams, S. P.; Cantor, G. H.; Chimalakonda, A.; Fura, A.; Johnson, B. M.; Knipe, J. O.; Parker, D. D.; Santone, K. S.; Fridell, R. A.; Lemm, J. A.; O'Boyle, D. R., 2nd; Colonno, R. J.; Gao, M.; Meanwell, N. A.; Hamann, L. G. Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J. Med. Chem. 2014, 57 (5), 2013-2032, 10.1021/jm401836p
-
(2014)
J. Med. Chem.
, vol.57
, Issue.5
, pp. 2013-2032
-
-
Belema, M.1
Nguyen, V.N.2
Bachand, C.3
Deon, D.H.4
Goodrich, J.T.5
James, C.A.6
Lavoie, R.7
Lopez, O.D.8
Martel, A.9
Romine, J.L.10
Ruediger, E.H.11
Snyder, L.B.12
St. Laurent, D.R.13
Yang, F.14
Zhu, J.15
Wong, H.S.16
Langley, D.R.17
Adams, S.P.18
Cantor, G.H.19
Chimalakonda, A.20
Fura, A.21
Johnson, B.M.22
Knipe, J.O.23
Parker, D.D.24
Santone, K.S.25
Fridell, R.A.26
Lemm, J.A.27
Colonno, R.J.28
Gao, M.29
Meanwell, N.A.30
Hamann, L.G.31
more..
-
217
-
-
84903522546
-
Discovery of daclatasvir, a pan-genotypic hepatitis C virus NS5A replication complex inhibitor with potent clinical effect
-
Belema, M.; Meanwell, N. A. Discovery of daclatasvir, a pan-genotypic hepatitis C virus NS5A replication complex inhibitor with potent clinical effect. J. Med. Chem. 2014, 57 (12), 5057-5071, 10.1021/jm500335h
-
(2014)
J. Med. Chem.
, vol.57
, Issue.12
, pp. 5057-5071
-
-
Belema, M.1
Meanwell, N.A.2
-
218
-
-
84961695969
-
A comprehensive insight into the chemical space and ADME features of small molecule NS5A inhibitors
-
Ivanenkov, Y. A.; Veselov, M. S.; Shakhbazyan, A. G.; Aladinskiy, V. A.; Aladinskaya, A. V.; Yartseva, S. M.; Majouga, A. G.; Vantskul, A. S.; Leonov, S. V.; Ivachtchenko, A. V.; Koteliansky, V. E. A comprehensive insight into the chemical space and ADME features of small molecule NS5A inhibitors. Curr. Top. Med. Chem. 2016, 16 (12), 1372-1382, 10.2174/1568026616666151120113040
-
(2016)
Curr. Top. Med. Chem.
, vol.16
, Issue.12
, pp. 1372-1382
-
-
Ivanenkov, Y.A.1
Veselov, M.S.2
Shakhbazyan, A.G.3
Aladinskiy, V.A.4
Aladinskaya, A.V.5
Yartseva, S.M.6
Majouga, A.G.7
Vantskul, A.S.8
Leonov, S.V.9
Ivachtchenko, A.V.10
Koteliansky, V.E.11
-
219
-
-
84918549836
-
Asymmetric binding to NS5A by daclatasvir (BMS-790052) and analogs suggests two novel modes of HCV inhibition
-
Nettles, J. H.; Stanton, R. A.; Broyde, J.; Amblard, F.; Zhang, H.; Zhou, L.; Shi, J.; McBrayer, T. R.; Whitaker, T.; Coats, S. J.; Kohler, J. J.; Schinazi, R. F. Asymmetric binding to NS5A by daclatasvir (BMS-790052) and analogs suggests two novel modes of HCV inhibition. J. Med. Chem. 2014, 57 (23), 10031-10043, 10.1021/jm501291c
-
(2014)
J. Med. Chem.
, vol.57
, Issue.23
, pp. 10031-10043
-
-
Nettles, J.H.1
Stanton, R.A.2
Broyde, J.3
Amblard, F.4
Zhang, H.5
Zhou, L.6
Shi, J.7
McBrayer, T.R.8
Whitaker, T.9
Coats, S.J.10
Kohler, J.J.11
Schinazi, R.F.12
-
220
-
-
84896308812
-
Discovery and development of hepatitis C virus NS5A replication complex inhibitors
-
Belema, M.; Lopez, O. D.; Bender, J. A.; Romine, J. L.; St. Laurent, D. R.; Langley, D. R.; Lemm, J. A.; O'Boyle, D. R., 2nd; Sun, J. H.; Wang, C.; Fridell, R. A.; Meanwell, N. A. Discovery and development of hepatitis C virus NS5A replication complex inhibitors. J. Med. Chem. 2014, 57 (5), 1643-1672, 10.1021/jm401793m
-
(2014)
J. Med. Chem.
, vol.57
, Issue.5
, pp. 1643-1672
-
-
Belema, M.1
Lopez, O.D.2
Bender, J.A.3
Romine, J.L.4
St. Laurent, D.R.5
Langley, D.R.6
Lemm, J.A.7
Sun, J.H.8
Wang, C.9
Fridell, R.A.10
Meanwell, N.A.11
-
221
-
-
84896268219
-
Discovery of ABT-267, a pan-genotypic inhibitor of HCV NS5A
-
DeGoey, D. A.; Randolph, J. T.; Liu, D.; Pratt, J.; Hutchins, C.; Donner, P.; Krueger, A. C.; Matulenko, M.; Patel, S.; Motter, C. E.; Nelson, L.; Keddy, R.; Tufano, M.; Caspi, D. D.; Krishnan, P.; Mistry, N.; Koev, G.; Reisch, T. J.; Mondal, R.; Pilot-Matias, T.; Gao, Y.; Beno, D. W.; Maring, C. J.; Molla, A.; Dumas, E.; Campbell, A.; Williams, L.; Collins, C.; Wagner, R.; Kati, W. M. Discovery of ABT-267, a pan-genotypic inhibitor of HCV NS5A. J. Med. Chem. 2014, 57 (5), 2047-2057, 10.1021/jm401398x
-
(2014)
J. Med. Chem.
, vol.57
, Issue.5
, pp. 2047-2057
-
-
DeGoey, D.A.1
Randolph, J.T.2
Liu, D.3
Pratt, J.4
Hutchins, C.5
Donner, P.6
Krueger, A.C.7
Matulenko, M.8
Patel, S.9
Motter, C.E.10
Nelson, L.11
Keddy, R.12
Tufano, M.13
Caspi, D.D.14
Krishnan, P.15
Mistry, N.16
Koev, G.17
Reisch, T.J.18
Mondal, R.19
Pilot-Matias, T.20
Gao, Y.21
Beno, D.W.22
Maring, C.J.23
Molla, A.24
Dumas, E.25
Campbell, A.26
Williams, L.27
Collins, C.28
Wagner, R.29
Kati, W.M.30
more..
-
222
-
-
84921898327
-
In vitro and in vivo antiviral activity and resistance profile of ombitasvir, an inhibitor of hepatitis C virus NS5A
-
Krishnan, P.; Beyer, J.; Mistry, N.; Koev, G.; Reisch, T.; DeGoey, D.; Kati, W.; Campbell, A.; Williams, L.; Xie, W.; Setze, C.; Molla, A.; Collins, C.; Pilot-Matias, T. In vitro and in vivo antiviral activity and resistance profile of ombitasvir, an inhibitor of hepatitis C virus NS5A. Antimicrob. Agents Chemother. 2015, 59 (2), 979-987, 10.1128/AAC.04226-14
-
(2015)
Antimicrob. Agents Chemother.
, vol.59
, Issue.2
, pp. 979-987
-
-
Krishnan, P.1
Beyer, J.2
Mistry, N.3
Koev, G.4
Reisch, T.5
DeGoey, D.6
Kati, W.7
Campbell, A.8
Williams, L.9
Xie, W.10
Setze, C.11
Molla, A.12
Collins, C.13
Pilot-Matias, T.14
-
223
-
-
84896295869
-
Discovery of ledipasvir (GS-5885): A potent, once-daily oral NS5A inhibitor for the treatment of hepatitis C virus infection
-
Link, J. O.; Taylor, J. G.; Xu, L.; Mitchell, M.; Guo, H.; Liu, H.; Kato, D.; Kirschberg, T.; Sun, J.; Squires, N.; Parrish, J.; Keller, T.; Yang, Z. Y.; Yang, C.; Matles, M.; Wang, Y.; Wang, K.; Cheng, G.; Tian, Y.; Mogalian, E.; Mondou, E.; Cornpropst, M.; Perry, J.; Desai, M. C. Discovery of ledipasvir (GS-5885): a potent, once-daily oral NS5A inhibitor for the treatment of hepatitis C virus infection. J. Med. Chem. 2014, 57 (5), 2033-2046, 10.1021/jm401499g
-
(2014)
J. Med. Chem.
, vol.57
, Issue.5
, pp. 2033-2046
-
-
Link, J.O.1
Taylor, J.G.2
Xu, L.3
Mitchell, M.4
Guo, H.5
Liu, H.6
Kato, D.7
Kirschberg, T.8
Sun, J.9
Squires, N.10
Parrish, J.11
Keller, T.12
Yang, Z.Y.13
Yang, C.14
Matles, M.15
Wang, Y.16
Wang, K.17
Cheng, G.18
Tian, Y.19
Mogalian, E.20
Mondou, E.21
Cornpropst, M.22
Perry, J.23
Desai, M.C.24
more..
-
224
-
-
85018182237
-
Preclinical pharmacokinetics and first-in-human pharmacokinetics, safety, and tolerability of velpatasvir, a pangenotypic hepatitis C virus NS5A inhibitor, in healthy subjects
-
Mogalian, E.; German, P.; Kearney, B. P.; Yang, C. Y.; Brainard, D.; Link, J.; McNally, J.; Han, L.; Ling, J.; Mathias, A. Preclinical pharmacokinetics and first-in-human pharmacokinetics, safety, and tolerability of velpatasvir, a pangenotypic hepatitis C virus NS5A inhibitor, in healthy subjects. Antimicrob. Agents Chemother. 2017, 61 (5), e02084-16, 10.1128/AAC.02084-16
-
(2017)
Antimicrob. Agents Chemother.
, vol.61
, Issue.5
, pp. e02084-e02116
-
-
Mogalian, E.1
German, P.2
Kearney, B.P.3
Yang, C.Y.4
Brainard, D.5
Link, J.6
McNally, J.7
Han, L.8
Ling, J.9
Mathias, A.10
-
225
-
-
84889888952
-
Discovery of MK-8742: An HCV NS5A inhibitor with broad genotype activity
-
Coburn, C. A.; Meinke, P. T.; Chang, W.; Fandozzi, C. M.; Graham, D. J.; Hu, B.; Huang, Q.; Kargman, S.; Kozlowski, J.; Liu, R.; McCauley, J. A.; Nomeir, A. A.; Soll, R. M.; Vacca, J. P.; Wang, D.; Wu, H.; Zhong, B.; Olsen, D. B.; Ludmerer, S. W. Discovery of MK-8742: an HCV NS5A inhibitor with broad genotype activity. ChemMedChem 2013, 8 (12), 1930-1940, 10.1002/cmdc.201300343
-
(2013)
ChemMedChem
, vol.8
, Issue.12
, pp. 1930-1940
-
-
Coburn, C.A.1
Meinke, P.T.2
Chang, W.3
Fandozzi, C.M.4
Graham, D.J.5
Hu, B.6
Huang, Q.7
Kargman, S.8
Kozlowski, J.9
Liu, R.10
McCauley, J.A.11
Nomeir, A.A.12
Soll, R.M.13
Vacca, J.P.14
Wang, D.15
Wu, H.16
Zhong, B.17
Olsen, D.B.18
Ludmerer, S.W.19
-
226
-
-
85018189969
-
In vitro antiviral activity and resistance profile of the next-generation hepatitis C virus NS5A inhibitor pibrentasvir
-
Ng, T. I.; Krishnan, P.; Pilot-Matias, T.; Kati, W.; Schnell, G.; Beyer, J.; Reisch, T.; Lu, L.; Dekhtyar, T.; Irvin, M.; Tripathi, R.; Maring, C.; Randolph, J. T.; Wagner, R.; Collins, C. In vitro antiviral activity and resistance profile of the next-generation hepatitis C virus NS5A inhibitor pibrentasvir. Antimicrob. Agents Chemother. 2017, 61 (5), e02558-16, 10.1128/AAC.02558-16
-
(2017)
Antimicrob. Agents Chemother.
, vol.61
, Issue.5
, pp. e02558-e02616
-
-
Ng, T.I.1
Krishnan, P.2
Pilot-Matias, T.3
Kati, W.4
Schnell, G.5
Beyer, J.6
Reisch, T.7
Lu, L.8
Dekhtyar, T.9
Irvin, M.10
Tripathi, R.11
Maring, C.12
Randolph, J.T.13
Wagner, R.14
Collins, C.15
-
227
-
-
85015103418
-
How big is too big for cell permeability?
-
Matsson, P.; Kihlberg, J. How big is too big for cell permeability?. J. Med. Chem. 2017, 60 (5), 1662-1664, 10.1021/acs.jmedchem.7b00237
-
(2017)
J. Med. Chem.
, vol.60
, Issue.5
, pp. 1662-1664
-
-
Matsson, P.1
Kihlberg, J.2
-
228
-
-
84903818637
-
The discovery of potent nonstructural protein 5A (NS5A) inhibitors with a unique resistance profile-Part 2
-
Wakenhut, F.; Tran, T. D.; Pickford, C.; Shaw, S.; Westby, M.; Smith-Burchnell, C.; Watson, L.; Paradowski, M.; Milbank, J.; Stonehouse, D.; Cheung, K.; Wybrow, R.; Daverio, F.; Crook, S.; Statham, K.; Leese, D.; Stead, D.; Adam, F.; Hay, D.; Roberts, L. R.; Chiva, J. Y.; Nichols, C.; Blakemore, D. C.; Goetz, G. H.; Che, Y.; Gardner, I.; Dayal, S.; Pike, A.; Webster, R.; Pryde, D. C. The discovery of potent nonstructural protein 5A (NS5A) inhibitors with a unique resistance profile-Part 2. ChemMedChem 2014, 9 (7), 1387-1396, 10.1002/cmdc.201400046
-
(2014)
ChemMedChem
, vol.9
, Issue.7
, pp. 1387-1396
-
-
Wakenhut, F.1
Tran, T.D.2
Pickford, C.3
Shaw, S.4
Westby, M.5
Smith-Burchnell, C.6
Watson, L.7
Paradowski, M.8
Milbank, J.9
Stonehouse, D.10
Cheung, K.11
Wybrow, R.12
Daverio, F.13
Crook, S.14
Statham, K.15
Leese, D.16
Stead, D.17
Adam, F.18
Hay, D.19
Roberts, L.R.20
Chiva, J.Y.21
Nichols, C.22
Blakemore, D.C.23
Goetz, G.H.24
Che, Y.25
Gardner, I.26
Dayal, S.27
Pike, A.28
Webster, R.29
Pryde, D.C.30
more..
-
229
-
-
85044421709
-
Beyond the rule of 5: Lessons learned from Abbvie's drugs and compound collection
-
DeGoey, D. A.; Chen, H. J.; Cox, P. B.; Wendt, M. D. Beyond the rule of 5: lessons learned from Abbvie's drugs and compound collection. J. Med. Chem. 2017, 10.1021/acs.jmedchem.7b00717
-
(2017)
J. Med. Chem.
-
-
DeGoey, D.A.1
Chen, H.J.2
Cox, P.B.3
Wendt, M.D.4
-
230
-
-
85012886240
-
BCL-2: Long and winding path from discovery to therapeutic target
-
Schenk, R. L.; Strasser, A.; Dewson, G. BCL-2: Long and winding path from discovery to therapeutic target. Biochem. Biophys. Res. Commun. 2017, 482 (3), 459-469, 10.1016/j.bbrc.2016.10.100
-
(2017)
Biochem. Biophys. Res. Commun.
, vol.482
, Issue.3
, pp. 459-469
-
-
Schenk, R.L.1
Strasser, A.2
Dewson, G.3
-
231
-
-
31544467109
-
Discovery of a potent inhibitor of the antiapoptotic protein Bcl-xL from NMR and parallel synthesis
-
Petros, A. M.; Dinges, J.; Augeri, D. J.; Baumeister, S. A.; Betebenner, D. A.; Bures, M. G.; Elmore, S. W.; Hajduk, P. J.; Joseph, M. K.; Landis, S. K.; Nettesheim, D. G.; Rosenberg, S. H.; Shen, W.; Thomas, S.; Wang, X.; Zanze, I.; Zhang, H.; Fesik, S. W. Discovery of a potent inhibitor of the antiapoptotic protein Bcl-xL from NMR and parallel synthesis. J. Med. Chem. 2006, 49 (2), 656-663, 10.1021/jm0507532
-
(2006)
J. Med. Chem.
, vol.49
, Issue.2
, pp. 656-663
-
-
Petros, A.M.1
Dinges, J.2
Augeri, D.J.3
Baumeister, S.A.4
Betebenner, D.A.5
Bures, M.G.6
Elmore, S.W.7
Hajduk, P.J.8
Joseph, M.K.9
Landis, S.K.10
Nettesheim, D.G.11
Rosenberg, S.H.12
Shen, W.13
Thomas, S.14
Wang, X.15
Zanze, I.16
Zhang, H.17
Fesik, S.W.18
-
232
-
-
56249144184
-
Discovery of an orally bioavailable small molecule inhibitor of prosurvival B-cell lymphoma 2 proteins
-
Park, C. M.; Bruncko, M.; Adickes, J.; Bauch, J.; Ding, H.; Kunzer, A.; Marsh, K. C.; Nimmer, P.; Shoemaker, A. R.; Song, X.; Tahir, S. K.; Tse, C.; Wang, X.; Wendt, M. D.; Yang, X.; Zhang, H.; Fesik, S. W.; Rosenberg, S. H.; Elmore, S. W. Discovery of an orally bioavailable small molecule inhibitor of prosurvival B-cell lymphoma 2 proteins. J. Med. Chem. 2008, 51 (21), 6902-6915, 10.1021/jm800669s
-
(2008)
J. Med. Chem.
, vol.51
, Issue.21
, pp. 6902-6915
-
-
Park, C.M.1
Bruncko, M.2
Adickes, J.3
Bauch, J.4
Ding, H.5
Kunzer, A.6
Marsh, K.C.7
Nimmer, P.8
Shoemaker, A.R.9
Song, X.10
Tahir, S.K.11
Tse, C.12
Wang, X.13
Wendt, M.D.14
Yang, X.15
Zhang, H.16
Fesik, S.W.17
Rosenberg, S.H.18
Elmore, S.W.19
-
233
-
-
84873540049
-
ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets
-
Souers, A. J.; Leverson, J. D.; Boghaert, E. R.; Ackler, S. L.; Catron, N. D.; Chen, J.; Dayton, B. D.; Ding, H.; Enschede, S. H.; Fairbrother, W. J.; Huang, D. C. S.; Hymowitz, S. G.; Jin, S.; Khaw, S. L.; Kovar, P. J.; Lam, L. T.; Lee, J.; Maecker, H. L.; Marsh, K. C.; Mason, K. D.; Mitten, M. J.; Nimmer, P. M.; Oleksijew, A.; Park, C. H.; Park, C.-M.; Phillips, D. C.; Roberts, A. W.; Sampath, D.; Seymour, J. F.; Smith, M. L.; Sullivan, G. M.; Tahir, S. K.; Tse, C.; Wendt, M. D.; Xiao, Y.; Xue, J. C.; Zhang, H.; Humerickhouse, R. A.; Rosenberg, S. H.; Elmore, S. W. ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets. Nat. Med. 2013, 19, 202-208, 10.1038/nm.3048
-
(2013)
Nat. Med.
, vol.19
, pp. 202-208
-
-
Souers, A.J.1
Leverson, J.D.2
Boghaert, E.R.3
Ackler, S.L.4
Catron, N.D.5
Chen, J.6
Dayton, B.D.7
Ding, H.8
Enschede, S.H.9
Fairbrother, W.J.10
Huang, D.C.S.11
Hymowitz, S.G.12
Jin, S.13
Khaw, S.L.14
Kovar, P.J.15
Lam, L.T.16
Lee, J.17
Maecker, H.L.18
Marsh, K.C.19
Mason, K.D.20
Mitten, M.J.21
Nimmer, P.M.22
Oleksijew, A.23
Park, C.H.24
Park, C.-M.25
Phillips, D.C.26
Roberts, A.W.27
Sampath, D.28
Seymour, J.F.29
Smith, M.L.30
Sullivan, G.M.31
Tahir, S.K.32
Tse, C.33
Wendt, M.D.34
Xiao, Y.35
Xue, J.C.36
Zhang, H.37
Humerickhouse, R.A.38
Rosenberg, S.H.39
Elmore, S.W.40
more..
-
234
-
-
85051280564
-
-
Venetoclax label. (accessed February 2).
-
Venetoclax label. https://www.accessdata.fda.gov/drugsatfda-docs/label/2016/208573s000lbl.pdf (accessed February 2, 2018).
-
(2018)
-
-
-
235
-
-
84891804059
-
The role of lymphatic transport on the systemic bioavailability of the Bcl-2 protein family inhibitors navitoclax (ABT-263) and ABT-199
-
Choo, E. F.; Boggs, J.; Zhu, C.; Lubach, J. W.; Catron, N. D.; Jenkins, G.; Souers, A. J.; Voorman, R. The role of lymphatic transport on the systemic bioavailability of the Bcl-2 protein family inhibitors navitoclax (ABT-263) and ABT-199. Drug Metab. Dispos. 2014, 42 (2), 207-212, 10.1124/dmd.113.055053
-
(2014)
Drug Metab. Dispos.
, vol.42
, Issue.2
, pp. 207-212
-
-
Choo, E.F.1
Boggs, J.2
Zhu, C.3
Lubach, J.W.4
Catron, N.D.5
Jenkins, G.6
Souers, A.J.7
Voorman, R.8
-
236
-
-
84990249282
-
Effect of low- and high-fat meals on the pharmacokinetics of venetoclax, a selective first-in-class BCL-2 Inhibitor
-
Salem, A. H.; Agarwal, S. K.; Dunbar, M.; Nuthalapati, S.; Chien, D.; Freise, K. J.; Wong, S. L. Effect of low- and high-fat meals on the pharmacokinetics of venetoclax, a selective first-in-class BCL-2 Inhibitor. J. Clin. Pharmacol. 2016, 56 (11), 1355-1361, 10.1002/jcph.741
-
(2016)
J. Clin. Pharmacol.
, vol.56
, Issue.11
, pp. 1355-1361
-
-
Salem, A.H.1
Agarwal, S.K.2
Dunbar, M.3
Nuthalapati, S.4
Chien, D.5
Freise, K.J.6
Wong, S.L.7
-
237
-
-
84962163302
-
How beyond rule of 5 drugs and clinical candidates bind to their targets
-
Doak, B. C.; Zheng, J.; Dobritzsch, D.; Kihlberg, J. How beyond rule of 5 drugs and clinical candidates bind to their targets. J. Med. Chem. 2016, 59 (6), 2312-2327, 10.1021/acs.jmedchem.5b01286
-
(2016)
J. Med. Chem.
, vol.59
, Issue.6
, pp. 2312-2327
-
-
Doak, B.C.1
Zheng, J.2
Dobritzsch, D.3
Kihlberg, J.4
-
238
-
-
85032013553
-
Learning medicinal chemistry absorption, distribution, metabolism, excretion, and toxicity (ADMET) rules from cross-company matched molecular pairs analysis (MMPA)
-
Kramer, C.; Ting, A.; Zheng, H.; Hert, J.; Schindler, T.; Stahl, M.; Robb, G.; Crawford, J. J.; Blaney, J.; Montague, S.; Leach, A. G.; Dossetter, A. G.; Griffen, E. J. Learning medicinal chemistry absorption, distribution, metabolism, excretion, and toxicity (ADMET) rules from cross-company matched molecular pairs analysis (MMPA). J. Med. Chem. 2017, 10.1021/acs.jmedchem.7b00935
-
(2017)
J. Med. Chem.
-
-
Kramer, C.1
Ting, A.2
Zheng, H.3
Hert, J.4
Schindler, T.5
Stahl, M.6
Robb, G.7
Crawford, J.J.8
Blaney, J.9
Montague, S.10
Leach, A.G.11
Dossetter, A.G.12
Griffen, E.J.13
-
239
-
-
39149090377
-
Statistical analysis of the effects of common chemical substituents on ligand potency
-
Hajduk, P. J.; Sauer, D. R. Statistical analysis of the effects of common chemical substituents on ligand potency. J. Med. Chem. 2008, 51 (3), 553-564, 10.1021/jm070838y
-
(2008)
J. Med. Chem.
, vol.51
, Issue.3
, pp. 553-564
-
-
Hajduk, P.J.1
Sauer, D.R.2
-
240
-
-
85032976804
-
Improvement in aqueous solubility achieved via small molecular changes
-
Walker, M. A. Improvement in aqueous solubility achieved via small molecular changes. Bioorg. Med. Chem. Lett. 2017, 27 (23), 5100-5108, 10.1016/j.bmcl.2017.09.041
-
(2017)
Bioorg. Med. Chem. Lett.
, vol.27
, Issue.23
, pp. 5100-5108
-
-
Walker, M.A.1
-
241
-
-
84956959993
-
The medicinal chemist's toolbox for late stage functionalization of druglike molecules
-
Cernak, T.; Dykstra, K. D.; Tyagarajan, S.; Vachal, P.; Krska, S. W. The medicinal chemist's toolbox for late stage functionalization of druglike molecules. Chem. Soc. Rev. 2016, 45 (3), 546-576, 10.1039/C5CS00628G
-
(2016)
Chem. Soc. Rev.
, vol.45
, Issue.3
, pp. 546-576
-
-
Cernak, T.1
Dykstra, K.D.2
Tyagarajan, S.3
Vachal, P.4
Krska, S.W.5
-
242
-
-
85044298288
-
Organic synthesis provides opportunities to transform drug discovery
-
Blakemore, D. C.; Castro, L.; Churcher, I.; Rees, D. C.; Thomas, A. W.; Wilson, D. M.; Wood, A. Organic synthesis provides opportunities to transform drug discovery. Nat. Chem. 2018, 10 (4), 383-394, 10.1038/s41557-018-0021-z
-
(2018)
Nat. Chem.
, vol.10
, Issue.4
, pp. 383-394
-
-
Blakemore, D.C.1
Castro, L.2
Churcher, I.3
Rees, D.C.4
Thomas, A.W.5
Wilson, D.M.6
Wood, A.7
-
243
-
-
85019254552
-
The necessary nitrogen atom: A versatile high-impact design element for multiparameter optimization
-
Pennington, L. D.; Moustakas, D. T. The necessary nitrogen atom: a versatile high-impact design element for multiparameter optimization. J. Med. Chem. 2017, 60 (9), 3552-3579, 10.1021/acs.jmedchem.6b01807
-
(2017)
J. Med. Chem.
, vol.60
, Issue.9
, pp. 3552-3579
-
-
Pennington, L.D.1
Moustakas, D.T.2
-
244
-
-
84861017386
-
Methyl effects on protein-ligand binding
-
Leung, C. S.; Leung, S. S.; Tirado-Rives, J.; Jorgensen, W. L. Methyl effects on protein-ligand binding. J. Med. Chem. 2012, 55 (9), 4489-4500, 10.1021/jm3003697
-
(2012)
J. Med. Chem.
, vol.55
, Issue.9
, pp. 4489-4500
-
-
Leung, C.S.1
Leung, S.S.2
Tirado-Rives, J.3
Jorgensen, W.L.4
-
245
-
-
84887566303
-
Profound methyl effects in drug discovery and a call for new C-H methylation reactions
-
Schonherr, H.; Cernak, T. Profound methyl effects in drug discovery and a call for new C-H methylation reactions. Angew. Chem., Int. Ed. 2013, 52 (47), 12256-12267, 10.1002/anie.201303207
-
(2013)
Angew. Chem., Int. Ed.
, vol.52
, Issue.47
, pp. 12256-12267
-
-
Schonherr, H.1
Cernak, T.2
-
246
-
-
84959440141
-
The importance of being Me: Magic methyls, methyltransferase inhibitors, and the discovery of tazemetostat
-
Kuntz, K. W.; Campbell, J. E.; Keilhack, H.; Pollock, R. M.; Knutson, S. K.; Porter-Scott, M.; Richon, V. M.; Sneeringer, C. J.; Wigle, T. J.; Allain, C. J.; Majer, C. R.; Moyer, M. P.; Copeland, R. A.; Chesworth, R. The importance of being Me: magic methyls, methyltransferase inhibitors, and the discovery of tazemetostat. J. Med. Chem. 2016, 59 (4), 1556-1564, 10.1021/acs.jmedchem.5b01501
-
(2016)
J. Med. Chem.
, vol.59
, Issue.4
, pp. 1556-1564
-
-
Kuntz, K.W.1
Campbell, J.E.2
Keilhack, H.3
Pollock, R.M.4
Knutson, S.K.5
Porter-Scott, M.6
Richon, V.M.7
Sneeringer, C.J.8
Wigle, T.J.9
Allain, C.J.10
Majer, C.R.11
Moyer, M.P.12
Copeland, R.A.13
Chesworth, R.14
-
247
-
-
84942638403
-
Applications of fluorine in medicinal chemistry
-
Gillis, E. P.; Eastman, K. J.; Hill, M. D.; Donnelly, D. J.; Meanwell, N. A. Applications of fluorine in medicinal chemistry. J. Med. Chem. 2015, 58 (21), 8315-8359, 10.1021/acs.jmedchem.5b00258
-
(2015)
J. Med. Chem.
, vol.58
, Issue.21
, pp. 8315-8359
-
-
Gillis, E.P.1
Eastman, K.J.2
Hill, M.D.3
Donnelly, D.J.4
Meanwell, N.A.5
-
248
-
-
84974627239
-
Quantitative Assessment of the impact of fluorine substitution on p-glycoprotein (p-gp) mediated efflux, permeability, lipophilicity, and metabolic stability
-
Pettersson, M.; Hou, X.; Kuhn, M.; Wager, T. T.; Kauffman, G. W.; Verhoest, P. R. Quantitative Assessment of the impact of fluorine substitution on p-glycoprotein (p-gp) mediated efflux, permeability, lipophilicity, and metabolic stability. J. Med. Chem. 2016, 59 (11), 5284-5296, 10.1021/acs.jmedchem.6b00027
-
(2016)
J. Med. Chem.
, vol.59
, Issue.11
, pp. 5284-5296
-
-
Pettersson, M.1
Hou, X.2
Kuhn, M.3
Wager, T.T.4
Kauffman, G.W.5
Verhoest, P.R.6
-
249
-
-
85000366430
-
Chemical structure-related druglike criteria of global approved drugs
-
Mao, F.; Ni, W.; Xu, X.; Wang, H.; Wang, J.; Ji, M.; Li, J. Chemical structure-related druglike criteria of global approved drugs. Molecules 2016, 21 (1), 75, 10.3390/molecules21010075
-
(2016)
Molecules
, vol.21
, Issue.1
, pp. 75
-
-
Mao, F.1
Ni, W.2
Xu, X.3
Wang, H.4
Wang, J.5
Ji, M.6
Li, J.7
-
250
-
-
34548841427
-
From ATP to AZD6140: The discovery of an orally active reversible P2Y12 receptor antagonist for the prevention of thrombosis
-
Springthorpe, B.; Bailey, A.; Barton, P.; Birkinshaw, T. N.; Bonnert, R. V.; Brown, R. C.; Chapman, D.; Dixon, J.; Guile, S. D.; Humphries, R. G.; Hunt, S. F.; Ince, F.; Ingall, A. H.; Kirk, I. P.; Leeson, P. D.; Leff, P.; Lewis, R. J.; Martin, B. P.; McGinnity, D. F.; Mortimore, M. P.; Paine, S. W.; Pairaudeau, G.; Patel, A.; Rigby, A. J.; Riley, R. J.; Teobald, B. J.; Tomlinson, W.; Webborn, P. J.; Willis, P. A. From ATP to AZD6140: the discovery of an orally active reversible P2Y12 receptor antagonist for the prevention of thrombosis. Bioorg. Med. Chem. Lett. 2007, 17 (21), 6013-6018, 10.1016/j.bmcl.2007.07.057
-
(2007)
Bioorg. Med. Chem. Lett.
, vol.17
, Issue.21
, pp. 6013-6018
-
-
Springthorpe, B.1
Bailey, A.2
Barton, P.3
Birkinshaw, T.N.4
Bonnert, R.V.5
Brown, R.C.6
Chapman, D.7
Dixon, J.8
Guile, S.D.9
Humphries, R.G.10
Hunt, S.F.11
Ince, F.12
Ingall, A.H.13
Kirk, I.P.14
Leeson, P.D.15
Leff, P.16
Lewis, R.J.17
Martin, B.P.18
McGinnity, D.F.19
Mortimore, M.P.20
Paine, S.W.21
Pairaudeau, G.22
Patel, A.23
Rigby, A.J.24
Riley, R.J.25
Teobald, B.J.26
Tomlinson, W.27
Webborn, P.J.28
Willis, P.A.29
more..
-
251
-
-
85020722283
-
Discovery of clinical candidate 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoli ne-6-carboxamide (PF-06650833), a potent, selective inhibitor of interleukin-1 receptor associated kinase 4 (IRAK4), by fragment-based drug design
-
Lee, K. L.; Ambler, C. M.; Anderson, D. R.; Boscoe, B. P.; Bree, A. G.; Brodfuehrer, J. I.; Chang, J. S.; Choi, C.; Chung, S.; Curran, K. J.; Day, J. E.; Dehnhardt, C. M.; Dower, K.; Drozda, S. E.; Frisbie, R. K.; Gavrin, L. K.; Goldberg, J. A.; Han, S.; Hegen, M.; Hepworth, D.; Hope, H. R.; Kamtekar, S.; Kilty, I. C.; Lee, A.; Lin, L. L.; Lovering, F. E.; Lowe, M. D.; Mathias, J. P.; Morgan, H. M.; Murphy, E. A.; Papaioannou, N.; Patny, A.; Pierce, B. S.; Rao, V. R.; Saiah, E.; Samardjiev, I. J.; Samas, B. M.; Shen, M. W. H.; Shin, J. H.; Soutter, H. H.; Strohbach, J. W.; Symanowicz, P. T.; Thomason, J. R.; Trzupek, J. D.; Vargas, R.; Vincent, F.; Yan, J.; Zapf, C. W.; Wright, S. W. Discovery of clinical candidate 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoli ne-6-carboxamide (PF-06650833), a potent, selective inhibitor of interleukin-1 receptor associated kinase 4 (IRAK4), by fragment-based drug design. J. Med. Chem. 2017, 60 (13), 5521-5542, 10.1021/acs.jmedchem.7b00231
-
(2017)
J. Med. Chem.
, vol.60
, Issue.13
, pp. 5521-5542
-
-
Lee, K.L.1
Ambler, C.M.2
Anderson, D.R.3
Boscoe, B.P.4
Bree, A.G.5
Brodfuehrer, J.I.6
Chang, J.S.7
Choi, C.8
Chung, S.9
Curran, K.J.10
Day, J.E.11
Dehnhardt, C.M.12
Dower, K.13
Drozda, S.E.14
Frisbie, R.K.15
Gavrin, L.K.16
Goldberg, J.A.17
Han, S.18
Hegen, M.19
Hepworth, D.20
Hope, H.R.21
Kamtekar, S.22
Kilty, I.C.23
Lee, A.24
Lin, L.L.25
Lovering, F.E.26
Lowe, M.D.27
Mathias, J.P.28
Morgan, H.M.29
Murphy, E.A.30
Papaioannou, N.31
Patny, A.32
Pierce, B.S.33
Rao, V.R.34
Saiah, E.35
Samardjiev, I.J.36
Samas, B.M.37
Shen, M.W.H.38
Shin, J.H.39
Soutter, H.H.40
Strohbach, J.W.41
Symanowicz, P.T.42
Thomason, J.R.43
Trzupek, J.D.44
Vargas, R.45
Vincent, F.46
Yan, J.47
Zapf, C.W.48
Wright, S.W.49
more..
-
252
-
-
85019666730
-
Discovery of pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) binders and optimization to high affinity macrocyclic inhibitors
-
McCoull, W.; Abrams, R. D.; Anderson, E.; Blades, K.; Barton, P.; Box, M.; Burgess, J.; Byth, K.; Cao, Q.; Chuaqui, C.; Carbajo, R. J.; Cheung, T.; Code, E.; Ferguson, A. D.; Fillery, S.; Fuller, N. O.; Gangl, E.; Gao, N.; Grist, M.; Hargreaves, D.; Howard, M. R.; Hu, J.; Kemmitt, P. D.; Nelson, J. E.; O'Connell, N.; Prince, D. B.; Raubo, P.; Rawlins, P. B.; Robb, G. R.; Shi, J.; Waring, M. J.; Whittaker, D.; Wylot, M.; Zhu, X. Discovery of pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) binders and optimization to high affinity macrocyclic inhibitors. J. Med. Chem. 2017, 60 (10), 4386-4402, 10.1021/acs.jmedchem.7b00359
-
(2017)
J. Med. Chem.
, vol.60
, Issue.10
, pp. 4386-4402
-
-
McCoull, W.1
Abrams, R.D.2
Anderson, E.3
Blades, K.4
Barton, P.5
Box, M.6
Burgess, J.7
Byth, K.8
Cao, Q.9
Chuaqui, C.10
Carbajo, R.J.11
Cheung, T.12
Code, E.13
Ferguson, A.D.14
Fillery, S.15
Fuller, N.O.16
Gangl, E.17
Gao, N.18
Grist, M.19
Hargreaves, D.20
Howard, M.R.21
Hu, J.22
Kemmitt, P.D.23
Nelson, J.E.24
O'Connell, N.25
Prince, D.B.26
Raubo, P.27
Rawlins, P.B.28
Robb, G.R.29
Shi, J.30
Waring, M.J.31
Whittaker, D.32
Wylot, M.33
Zhu, X.34
more..
-
253
-
-
85027239659
-
Design and optimization of benzopiperazines as potent inhibitors of BET bromodomains
-
Millan, D. S.; Kayser-Bricker, K. J.; Martin, M. W.; Talbot, A. C.; Schiller, S. E. R.; Herbertz, T.; Williams, G. L.; Luke, G. P.; Hubbs, S.; Alvarez Morales, M. A.; Cardillo, D.; Troccolo, P.; Mendes, R. L.; McKinnon, C. Design and optimization of benzopiperazines as potent inhibitors of BET bromodomains. ACS Med. Chem. Lett. 2017, 8 (8), 847-852, 10.1021/acsmedchemlett.7b00191
-
(2017)
ACS Med. Chem. Lett.
, vol.8
, Issue.8
, pp. 847-852
-
-
Millan, D.S.1
Kayser-Bricker, K.J.2
Martin, M.W.3
Talbot, A.C.4
Schiller, S.E.R.5
Herbertz, T.6
Williams, G.L.7
Luke, G.P.8
Hubbs, S.9
Alvarez Morales, M.A.10
Cardillo, D.11
Troccolo, P.12
Mendes, R.L.13
McKinnon, C.14
-
254
-
-
84937714456
-
Fragment-based discovery of a small molecule inhibitor of bruton's tyrosine kinase
-
Smith, C. R.; Dougan, D. R.; Komandla, M.; Kanouni, T.; Knight, B.; Lawson, J. D.; Sabat, M.; Taylor, E. R.; Vu, P.; Wyrick, C. Fragment-based discovery of a small molecule inhibitor of bruton's tyrosine kinase. J. Med. Chem. 2015, 58 (14), 5437-5444, 10.1021/acs.jmedchem.5b00734
-
(2015)
J. Med. Chem.
, vol.58
, Issue.14
, pp. 5437-5444
-
-
Smith, C.R.1
Dougan, D.R.2
Komandla, M.3
Kanouni, T.4
Knight, B.5
Lawson, J.D.6
Sabat, M.7
Taylor, E.R.8
Vu, P.9
Wyrick, C.10
-
255
-
-
85032451478
-
Discovery of N-(4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl)ethanesulfonamide (ABBV-075/mivebresib), a potent and orally available bromodomain and extraterminal domain (BET) family bromodomain inhibitor
-
McDaniel, K. F.; Wang, L.; Soltwedel, T.; Fidanze, S. D.; Hasvold, L. A.; Liu, D.; Mantei, R. A.; Pratt, J. K.; Sheppard, G. S.; Bui, M. H.; Faivre, E. J.; Huang, X.; Li, L.; Lin, X.; Wang, R.; Warder, S. E.; Wilcox, D.; Albert, D. H.; Magoc, T. J.; Rajaraman, G.; Park, C. H.; Hutchins, C. W.; Shen, J. J.; Edalji, R. P.; Sun, C. C.; Martin, R.; Gao, W.; Wong, S.; Fang, G.; Elmore, S. W.; Shen, Y.; Kati, W. M. Discovery of N-(4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl)ethanesulfonamide (ABBV-075/mivebresib), a potent and orally available bromodomain and extraterminal domain (BET) family bromodomain inhibitor. J. Med. Chem. 2017, 60 (20), 8369-8384, 10.1021/acs.jmedchem.7b00746
-
(2017)
J. Med. Chem.
, vol.60
, Issue.20
, pp. 8369-8384
-
-
McDaniel, K.F.1
Wang, L.2
Soltwedel, T.3
Fidanze, S.D.4
Hasvold, L.A.5
Liu, D.6
Mantei, R.A.7
Pratt, J.K.8
Sheppard, G.S.9
Bui, M.H.10
Faivre, E.J.11
Huang, X.12
Li, L.13
Lin, X.14
Wang, R.15
Warder, S.E.16
Wilcox, D.17
Albert, D.H.18
Magoc, T.J.19
Rajaraman, G.20
Park, C.H.21
Hutchins, C.W.22
Shen, J.J.23
Edalji, R.P.24
Sun, C.C.25
Martin, R.26
Gao, W.27
Wong, S.28
Fang, G.29
Elmore, S.W.30
Shen, Y.31
Kati, W.M.32
more..
-
256
-
-
84991517842
-
Discovery of TAK-272: A novel, potent, and orally active renin inhibitor
-
Imaeda, Y.; Tokuhara, H.; Fukase, Y.; Kanagawa, R.; Kajimoto, Y.; Kusumoto, K.; Kondo, M.; Snell, G.; Behnke, C. A.; Kuroita, T. Discovery of TAK-272: a novel, potent, and orally active renin inhibitor. ACS Med. Chem. Lett. 2016, 7 (10), 933-938, 10.1021/acsmedchemlett.6b00251
-
(2016)
ACS Med. Chem. Lett.
, vol.7
, Issue.10
, pp. 933-938
-
-
Imaeda, Y.1
Tokuhara, H.2
Fukase, Y.3
Kanagawa, R.4
Kajimoto, Y.5
Kusumoto, K.6
Kondo, M.7
Snell, G.8
Behnke, C.A.9
Kuroita, T.10
-
257
-
-
85023771380
-
Discovery of highly potent and selective small-molecule reversible factor D Inhibitors demonstrating alternative complement pathway inhibition in vivo
-
Lorthiois, E.; Anderson, K.; Vulpetti, A.; Rogel, O.; Cumin, F.; Ostermann, N.; Steinbacher, S.; Mac Sweeney, A.; Delgado, O.; Liao, S. M.; Randl, S.; Rudisser, S.; Dussauge, S.; Fettis, K.; Kieffer, L.; de Erkenez, A.; Yang, L.; Hartwieg, C.; Argikar, U. A.; La Bonte, L. R.; Newton, R.; Kansara, V.; Flohr, S.; Hommel, U.; Jaffee, B.; Maibaum, J. Discovery of highly potent and selective small-molecule reversible factor D Inhibitors demonstrating alternative complement pathway inhibition in vivo. J. Med. Chem. 2017, 60 (13), 5717-5735, 10.1021/acs.jmedchem.7b00425
-
(2017)
J. Med. Chem.
, vol.60
, Issue.13
, pp. 5717-5735
-
-
Lorthiois, E.1
Anderson, K.2
Vulpetti, A.3
Rogel, O.4
Cumin, F.5
Ostermann, N.6
Steinbacher, S.7
Mac Sweeney, A.8
Delgado, O.9
Liao, S.M.10
Randl, S.11
Rudisser, S.12
Dussauge, S.13
Fettis, K.14
Kieffer, L.15
De Erkenez, A.16
Yang, L.17
Hartwieg, C.18
Argikar, U.A.19
La Bonte, L.R.20
Newton, R.21
Kansara, V.22
Flohr, S.23
Hommel, U.24
Jaffee, B.25
Maibaum, J.26
more..
-
258
-
-
84988700553
-
Design and synthesis of pyridone-containing 3,4-dihydroisoquinoline-1(2H)-ones as a novel class of enhancer of zeste homolog 2 (EZH2) inhibitors
-
Kung, P. P.; Rui, E.; Bergqvist, S.; Bingham, P.; Braganza, J.; Collins, M.; Cui, M.; Diehl, W.; Dinh, D.; Fan, C.; Fantin, V. R.; Gukasyan, H. J.; Hu, W.; Huang, B.; Kephart, S.; Krivacic, C.; Kumpf, R. A.; Li, G.; Maegley, K. A.; McAlpine, I.; Nguyen, L.; Ninkovic, S.; Ornelas, M.; Ryskin, M.; Scales, S.; Sutton, S.; Tatlock, J.; Verhelle, D.; Wang, F.; Wells, P.; Wythes, M.; Yamazaki, S.; Yip, B.; Yu, X.; Zehnder, L.; Zhang, W. G.; Rollins, R. A.; Edwards, M. Design and synthesis of pyridone-containing 3,4-dihydroisoquinoline-1(2H)-ones as a novel class of enhancer of zeste homolog 2 (EZH2) inhibitors. J. Med. Chem. 2016, 59 (18), 8306-8325, 10.1021/acs.jmedchem.6b00515
-
(2016)
J. Med. Chem.
, vol.59
, Issue.18
, pp. 8306-8325
-
-
Kung, P.P.1
Rui, E.2
Bergqvist, S.3
Bingham, P.4
Braganza, J.5
Collins, M.6
Cui, M.7
Diehl, W.8
Dinh, D.9
Fan, C.10
Fantin, V.R.11
Gukasyan, H.J.12
Hu, W.13
Huang, B.14
Kephart, S.15
Krivacic, C.16
Kumpf, R.A.17
Li, G.18
Maegley, K.A.19
McAlpine, I.20
Nguyen, L.21
Ninkovic, S.22
Ornelas, M.23
Ryskin, M.24
Scales, S.25
Sutton, S.26
Tatlock, J.27
Verhelle, D.28
Wang, F.29
Wells, P.30
Wythes, M.31
Yamazaki, S.32
Yip, B.33
Yu, X.34
Zehnder, L.35
Zhang, W.G.36
Rollins, R.A.37
Edwards, M.38
more..
-
259
-
-
84955452804
-
Optimizing ligand efficiency of selective androgen receptor modulators (SARMs)
-
Handlon, A. L.; Schaller, L. T.; Leesnitzer, L. M.; Merrihew, R. V.; Poole, C.; Ulrich, J. C.; Wilson, J. W.; Cadilla, R.; Turnbull, P. Optimizing ligand efficiency of selective androgen receptor modulators (SARMs). ACS Med. Chem. Lett. 2016, 7 (1), 83-88, 10.1021/acsmedchemlett.5b00377
-
(2016)
ACS Med. Chem. Lett.
, vol.7
, Issue.1
, pp. 83-88
-
-
Handlon, A.L.1
Schaller, L.T.2
Leesnitzer, L.M.3
Merrihew, R.V.4
Poole, C.5
Ulrich, J.C.6
Wilson, J.W.7
Cadilla, R.8
Turnbull, P.9
-
260
-
-
84942251348
-
Discovery and optimization of imidazopyridine-based inhibitors of diacylglycerol acyltransferase 2 (DGAT2)
-
Futatsugi, K.; Kung, D. W.; Orr, S. T.; Cabral, S.; Hepworth, D.; Aspnes, G.; Bader, S.; Bian, J.; Boehm, M.; Carpino, P. A.; Coffey, S. B.; Dowling, M. S.; Herr, M.; Jiao, W.; Lavergne, S. Y.; Li, Q.; Clark, R. W.; Erion, D. M.; Kou, K.; Lee, K.; Pabst, B. A.; Perez, S. M.; Purkal, J.; Jorgensen, C. C.; Goosen, T. C.; Gosset, J. R.; Niosi, M.; Pettersen, J. C.; Pfefferkorn, J. A.; Ahn, K.; Goodwin, B. Discovery and optimization of imidazopyridine-based inhibitors of diacylglycerol acyltransferase 2 (DGAT2). J. Med. Chem. 2015, 58 (18), 7173-7185, 10.1021/acs.jmedchem.5b01006
-
(2015)
J. Med. Chem.
, vol.58
, Issue.18
, pp. 7173-7185
-
-
Futatsugi, K.1
Kung, D.W.2
Orr, S.T.3
Cabral, S.4
Hepworth, D.5
Aspnes, G.6
Bader, S.7
Bian, J.8
Boehm, M.9
Carpino, P.A.10
Coffey, S.B.11
Dowling, M.S.12
Herr, M.13
Jiao, W.14
Lavergne, S.Y.15
Li, Q.16
Clark, R.W.17
Erion, D.M.18
Kou, K.19
Lee, K.20
Pabst, B.A.21
Perez, S.M.22
Purkal, J.23
Jorgensen, C.C.24
Goosen, T.C.25
Gosset, J.R.26
Niosi, M.27
Pettersen, J.C.28
Pfefferkorn, J.A.29
Ahn, K.30
Goodwin, B.31
more..
-
261
-
-
84938290778
-
Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase
-
Bagdanoff, J. T.; Jain, R.; Han, W.; Poon, D.; Lee, P. S.; Bellamacina, C.; Lindvall, M. Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase. Bioorg. Med. Chem. Lett. 2015, 25 (17), 3626-3629, 10.1016/j.bmcl.2015.06.063
-
(2015)
Bioorg. Med. Chem. Lett.
, vol.25
, Issue.17
, pp. 3626-3629
-
-
Bagdanoff, J.T.1
Jain, R.2
Han, W.3
Poon, D.4
Lee, P.S.5
Bellamacina, C.6
Lindvall, M.7
-
262
-
-
85019267199
-
Can we make small molecules lean? Optimization of a highly lipophilic TarO inhibitor
-
Mandal, M.; Tan, Z.; Madsen-Duggan, C.; Buevich, A. V.; Caldwell, J. P.; Dejesus, R.; Flattery, A.; Garlisi, C. G.; Gill, C.; Ha, S. N.; Ho, G.; Koseoglu, S.; Labroli, M.; Basu, K.; Lee, S. H.; Liang, L.; Liu, J.; Mayhood, T.; McGuinness, D.; McLaren, D. G.; Wen, X.; Parmee, E.; Rindgen, D.; Roemer, T.; Sheth, P.; Tawa, P.; Tata, J.; Yang, C.; Yang, S. W.; Xiao, L.; Wang, H.; Tan, C.; Tang, H.; Walsh, P.; Walsh, E.; Wu, J.; Su, J. Can we make small molecules lean? optimization of a highly lipophilic TarO inhibitor. J. Med. Chem. 2017, 60 (9), 3851-3865, 10.1021/acs.jmedchem.7b00113
-
(2017)
J. Med. Chem.
, vol.60
, Issue.9
, pp. 3851-3865
-
-
Mandal, M.1
Tan, Z.2
Madsen-Duggan, C.3
Buevich, A.V.4
Caldwell, J.P.5
Dejesus, R.6
Flattery, A.7
Garlisi, C.G.8
Gill, C.9
Ha, S.N.10
Ho, G.11
Koseoglu, S.12
Labroli, M.13
Basu, K.14
Lee, S.H.15
Liang, L.16
Liu, J.17
Mayhood, T.18
McGuinness, D.19
McLaren, D.G.20
Wen, X.21
Parmee, E.22
Rindgen, D.23
Roemer, T.24
Sheth, P.25
Tawa, P.26
Tata, J.27
Yang, C.28
Yang, S.W.29
Xiao, L.30
Wang, H.31
Tan, C.32
Tang, H.33
Walsh, P.34
Walsh, E.35
Wu, J.36
Su, J.37
more..
-
263
-
-
85030324429
-
Discovery and characterization of (R)-6-neopentyl-2-(pyridin-2-ylmethoxy)-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4(9 H)-one (PF-06462894), an alkyne-lacking metabotropic glutamate receptor 5 negative allosteric modulator profiled in both rat and nonhuman primates
-
Stepan, A. F.; Claffey, M. M.; Reese, M. R.; Balan, G.; Barreiro, G.; Barricklow, J.; Bohanon, M. J.; Boscoe, B. P.; Cappon, G. D.; Chenard, L. K.; Cianfrogna, J.; Chen, L.; Coffman, K. J.; Drozda, S. E.; Dunetz, J. R.; Ghosh, S.; Hou, X.; Houle, C.; Karki, K.; Lazzaro, J. T.; Mancuso, J. Y.; Marcek, J. M.; Miller, E. L.; Moen, M. A.; O'Neil, S.; Sakurada, I.; Skaddan, M.; Parikh, V.; Smith, D. L.; Trapa, P.; Tuttle, J. B.; Verhoest, P. R.; Walker, D. P.; Won, A.; Wright, A. S.; Whritenour, J.; Zasadny, K.; Zaleska, M. M.; Zhang, L.; Shaffer, C. L. Discovery and characterization of (R)-6-neopentyl-2-(pyridin-2-ylmethoxy)-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4(9 H)-one (PF-06462894), an alkyne-lacking metabotropic glutamate receptor 5 negative allosteric modulator profiled in both rat and nonhuman primates. J. Med. Chem. 2017, 60 (18), 7764-7780, 10.1021/acs.jmedchem.7b00604
-
(2017)
J. Med. Chem.
, vol.60
, Issue.18
, pp. 7764-7780
-
-
Stepan, A.F.1
Claffey, M.M.2
Reese, M.R.3
Balan, G.4
Barreiro, G.5
Barricklow, J.6
Bohanon, M.J.7
Boscoe, B.P.8
Cappon, G.D.9
Chenard, L.K.10
Cianfrogna, J.11
Chen, L.12
Coffman, K.J.13
Drozda, S.E.14
Dunetz, J.R.15
Ghosh, S.16
Hou, X.17
Houle, C.18
Karki, K.19
Lazzaro, J.T.20
Mancuso, J.Y.21
Marcek, J.M.22
Miller, E.L.23
Moen, M.A.24
O'Neil, S.25
Sakurada, I.26
Skaddan, M.27
Parikh, V.28
Smith, D.L.29
Trapa, P.30
Tuttle, J.B.31
Verhoest, P.R.32
Walker, D.P.33
Won, A.34
Wright, A.S.35
Whritenour, J.36
Zasadny, K.37
Zaleska, M.M.38
Zhang, L.39
Shaffer, C.L.40
more..
-
264
-
-
84999723814
-
The discovery of a potent, selective, and peripherally restricted pan-Trk inhibitor (PF-06273340) for the treatment of pain
-
Skerratt, S. E.; Andrews, M.; Bagal, S. K.; Bilsland, J.; Brown, D.; Bungay, P. J.; Cole, S.; Gibson, K. R.; Jones, R.; Morao, I.; Nedderman, A.; Omoto, K.; Robinson, C.; Ryckmans, T.; Skinner, K.; Stupple, P.; Waldron, G. The discovery of a potent, selective, and peripherally restricted pan-Trk inhibitor (PF-06273340) for the treatment of pain. J. Med. Chem. 2016, 59 (22), 10084-10099, 10.1021/acs.jmedchem.6b00850
-
(2016)
J. Med. Chem.
, vol.59
, Issue.22
, pp. 10084-10099
-
-
Skerratt, S.E.1
Andrews, M.2
Bagal, S.K.3
Bilsland, J.4
Brown, D.5
Bungay, P.J.6
Cole, S.7
Gibson, K.R.8
Jones, R.9
Morao, I.10
Nedderman, A.11
Omoto, K.12
Robinson, C.13
Ryckmans, T.14
Skinner, K.15
Stupple, P.16
Waldron, G.17
-
265
-
-
84929300455
-
Discovery of benzimidazole CYP11B2 inhibitors with in vivo activity in rhesus monkeys
-
Hoyt, S. B.; Park, M. K.; London, C.; Xiong, Y.; Tata, J.; Bennett, D. J.; Cooke, A.; Cai, J.; Carswell, E.; Robinson, J.; MacLean, J.; Brown, L.; Belshaw, S.; Clarkson, T. R.; Liu, K.; Liang, G. B.; Struthers, M.; Cully, D.; Wisniewski, T.; Ren, N.; Bopp, C.; Sok, A.; Cai, T. Q.; Stribling, S.; Pai, L. Y.; Ma, X.; Metzger, J.; Verras, A.; McMasters, D.; Chen, Q.; Tung, E.; Tang, W.; Salituro, G.; Buist, N.; Kuethe, J.; Rivera, N.; Clemas, J.; Zhou, G.; Gibson, J.; Maxwell, C. A.; Lassman, M.; McLaughlin, T.; Castro-Perez, J.; Szeto, D.; Forrest, G.; Hajdu, R.; Rosenbach, M.; Ali, A. Discovery of benzimidazole CYP11B2 inhibitors with in vivo activity in rhesus monkeys. ACS Med. Chem. Lett. 2015, 6 (5), 573-578, 10.1021/acsmedchemlett.5b00054
-
(2015)
ACS Med. Chem. Lett.
, vol.6
, Issue.5
, pp. 573-578
-
-
Hoyt, S.B.1
Park, M.K.2
London, C.3
Xiong, Y.4
Tata, J.5
Bennett, D.J.6
Cooke, A.7
Cai, J.8
Carswell, E.9
Robinson, J.10
MacLean, J.11
Brown, L.12
Belshaw, S.13
Clarkson, T.R.14
Liu, K.15
Liang, G.B.16
Struthers, M.17
Cully, D.18
Wisniewski, T.19
Ren, N.20
Bopp, C.21
Sok, A.22
Cai, T.Q.23
Stribling, S.24
Pai, L.Y.25
Ma, X.26
Metzger, J.27
Verras, A.28
McMasters, D.29
Chen, Q.30
Tung, E.31
Tang, W.32
Salituro, G.33
Buist, N.34
Kuethe, J.35
Rivera, N.36
Clemas, J.37
Zhou, G.38
Gibson, J.39
Maxwell, C.A.40
Lassman, M.41
McLaughlin, T.42
Castro-Perez, J.43
Szeto, D.44
Forrest, G.45
Hajdu, R.46
Rosenbach, M.47
Ali, A.48
more..
-
266
-
-
85013974548
-
SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding
-
Curtin, M. L.; Pliushchev, M. A.; Li, H. Q.; Torrent, M.; Dietrich, J. D.; Jakob, C. G.; Zhu, H.; Zhao, H.; Wang, Y.; Ji, Z.; Clark, R. F.; Sarris, K. A.; Selvaraju, S.; Shaw, B.; Algire, M. A.; He, Y.; Richardson, P. L.; Sweis, R. F.; Sun, C.; Chiang, G. G.; Michaelides, M. R. SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding. Bioorg. Med. Chem. Lett. 2017, 27 (7), 1576-1583, 10.1016/j.bmcl.2017.02.030
-
(2017)
Bioorg. Med. Chem. Lett.
, vol.27
, Issue.7
, pp. 1576-1583
-
-
Curtin, M.L.1
Pliushchev, M.A.2
Li, H.Q.3
Torrent, M.4
Dietrich, J.D.5
Jakob, C.G.6
Zhu, H.7
Zhao, H.8
Wang, Y.9
Ji, Z.10
Clark, R.F.11
Sarris, K.A.12
Selvaraju, S.13
Shaw, B.14
Algire, M.A.15
He, Y.16
Richardson, P.L.17
Sweis, R.F.18
Sun, C.19
Chiang, G.G.20
Michaelides, M.R.21
more..
-
267
-
-
84953268096
-
Discovery of a first-in-class, potent, selective, and orally bioavailable inhibitor of the p97 AAA ATPase (CB-5083)
-
Zhou, H. J.; Wang, J.; Yao, B.; Wong, S.; Djakovic, S.; Kumar, B.; Rice, J.; Valle, E.; Soriano, F.; Menon, M. K.; Madriaga, A.; Kiss von Soly, S.; Kumar, A.; Parlati, F.; Yakes, F. M.; Shawver, L.; Le Moigne, R.; Anderson, D. J.; Rolfe, M.; Wustrow, D. Discovery of a first-in-class, potent, selective, and orally bioavailable inhibitor of the p97 AAA ATPase (CB-5083). J. Med. Chem. 2015, 58 (24), 9480-9497, 10.1021/acs.jmedchem.5b01346
-
(2015)
J. Med. Chem.
, vol.58
, Issue.24
, pp. 9480-9497
-
-
Zhou, H.J.1
Wang, J.2
Yao, B.3
Wong, S.4
Djakovic, S.5
Kumar, B.6
Rice, J.7
Valle, E.8
Soriano, F.9
Menon, M.K.10
Madriaga, A.11
Kiss Von Soly, S.12
Kumar, A.13
Parlati, F.14
Yakes, F.M.15
Shawver, L.16
Le Moigne, R.17
Anderson, D.J.18
Rolfe, M.19
Wustrow, D.20
more..
-
268
-
-
85010754776
-
Structure-Based design of tricyclic NF-kappaB inducing kinase (NIK) inhibitors that have high selectivity over phosphoinositide-3-kinase (PI3K)
-
Castanedo, G. M.; Blaquiere, N.; Beresini, M.; Bravo, B.; Brightbill, H.; Chen, J.; Cui, H. F.; Eigenbrot, C.; Everett, C.; Feng, J.; Godemann, R.; Gogol, E.; Hymowitz, S.; Johnson, A.; Kayagaki, N.; Kohli, P. B.; Knuppel, K.; Kraemer, J.; Kruger, S.; Loke, P.; McEwan, P.; Montalbetti, C.; Roberts, D. A.; Smith, M.; Steinbacher, S.; Sujatha-Bhaskar, S.; Takahashi, R.; Wang, X.; Wu, L. C.; Zhang, Y.; Staben, S. T. Structure-Based design of tricyclic NF-kappaB inducing kinase (NIK) inhibitors that have high selectivity over phosphoinositide-3-kinase (PI3K). J. Med. Chem. 2017, 60 (2), 627-640, 10.1021/acs.jmedchem.6b01363
-
(2017)
J. Med. Chem.
, vol.60
, Issue.2
, pp. 627-640
-
-
Castanedo, G.M.1
Blaquiere, N.2
Beresini, M.3
Bravo, B.4
Brightbill, H.5
Chen, J.6
Cui, H.F.7
Eigenbrot, C.8
Everett, C.9
Feng, J.10
Godemann, R.11
Gogol, E.12
Hymowitz, S.13
Johnson, A.14
Kayagaki, N.15
Kohli, P.B.16
Knuppel, K.17
Kraemer, J.18
Kruger, S.19
Loke, P.20
McEwan, P.21
Montalbetti, C.22
Roberts, D.A.23
Smith, M.24
Steinbacher, S.25
Sujatha-Bhaskar, S.26
Takahashi, R.27
Wang, X.28
Wu, L.C.29
Zhang, Y.30
Staben, S.T.31
more..
-
269
-
-
84947779762
-
Structural Optimization of ghrelin receptor inverse agonists to improve lipophilicity and avoid mechanism-based CYP3A4 inactivation
-
Takahashi, B.; Funami, H.; Shibata, M.; Maruoka, H.; Koyama, M.; Kanki, S.; Muto, T. Structural Optimization of ghrelin receptor inverse agonists to improve lipophilicity and avoid mechanism-based CYP3A4 inactivation. Chem. Pharm. Bull. 2015, 63 (10), 825-832, 10.1248/cpb.c15-00285
-
(2015)
Chem. Pharm. Bull.
, vol.63
, Issue.10
, pp. 825-832
-
-
Takahashi, B.1
Funami, H.2
Shibata, M.3
Maruoka, H.4
Koyama, M.5
Kanki, S.6
Muto, T.7
-
270
-
-
84960923328
-
Optimization of novel aza-benzimidazolone mGluR2 PAMs with respect to LLE and PK properties and mitigation of CYP TDI
-
Pero, J. E.; Rossi, M. A.; Kelly, M. J., 3rd; Lehman, H. D.; Layton, M. E.; Garbaccio, R. M.; O'Brien, J. A.; Magliaro, B. C.; Uslaner, J. M.; Huszar, S. L.; Fillgrove, K. L.; Tang, C.; Kuo, Y.; Joyce, L. A.; Sherer, E. C.; Jacobson, M. A. Optimization of novel aza-benzimidazolone mGluR2 PAMs with respect to LLE and PK properties and mitigation of CYP TDI. ACS Med. Chem. Lett. 2016, 7 (3), 312-317, 10.1021/acsmedchemlett.5b00459
-
(2016)
ACS Med. Chem. Lett.
, vol.7
, Issue.3
, pp. 312-317
-
-
Pero, J.E.1
Rossi, M.A.2
Lehman, H.D.3
Layton, M.E.4
Garbaccio, R.M.5
O'Brien, J.A.6
Magliaro, B.C.7
Uslaner, J.M.8
Huszar, S.L.9
Fillgrove, K.L.10
Tang, C.11
Kuo, Y.12
Joyce, L.A.13
Sherer, E.C.14
Jacobson, M.A.15
-
271
-
-
84994034513
-
Discovery of second generation reversible covalent DPP1 inhibitors leading to an oxazepane amidoacetonitrile based clinical candidate (AZD7986)
-
Doyle, K.; Lonn, H.; Kack, H.; Van de Poel, A.; Swallow, S.; Gardiner, P.; Connolly, S.; Root, J.; Wikell, C.; Dahl, G.; Stenvall, K.; Johannesson, P. Discovery of second generation reversible covalent DPP1 inhibitors leading to an oxazepane amidoacetonitrile based clinical candidate (AZD7986). J. Med. Chem. 2016, 59 (20), 9457-9472, 10.1021/acs.jmedchem.6b01127
-
(2016)
J. Med. Chem.
, vol.59
, Issue.20
, pp. 9457-9472
-
-
Doyle, K.1
Lonn, H.2
Kack, H.3
Van De Poel, A.4
Swallow, S.5
Gardiner, P.6
Connolly, S.7
Root, J.8
Wikell, C.9
Dahl, G.10
Stenvall, K.11
Johannesson, P.12
-
272
-
-
85031285690
-
Selective inhibitors of dual leucine zipper kinase (DLK, MAP3K12) with activity in a model of Alzheimer's disease
-
Patel, S.; Meilandt, W. J.; Erickson, R. I.; Chen, J.; Deshmukh, G.; Estrada, A. A.; Fuji, R. N.; Gibbons, P.; Gustafson, A.; Harris, S. F.; Imperio, J.; Liu, W.; Liu, X.; Liu, Y.; Lyssikatos, J. P.; Ma, C.; Yin, J.; Lewcock, J. W.; Siu, M. Selective inhibitors of dual leucine zipper kinase (DLK, MAP3K12) with activity in a model of Alzheimer's disease. J. Med. Chem. 2017, 60 (19), 8083-8102, 10.1021/acs.jmedchem.7b00843
-
(2017)
J. Med. Chem.
, vol.60
, Issue.19
, pp. 8083-8102
-
-
Patel, S.1
Meilandt, W.J.2
Erickson, R.I.3
Chen, J.4
Deshmukh, G.5
Estrada, A.A.6
Fuji, R.N.7
Gibbons, P.8
Gustafson, A.9
Harris, S.F.10
Imperio, J.11
Liu, W.12
Liu, X.13
Liu, Y.14
Lyssikatos, J.P.15
Ma, C.16
Yin, J.17
Lewcock, J.W.18
Siu, M.19
-
273
-
-
85018770853
-
Identification of novel 1,2,3,6-tetrahydropyridyl-substituted benzo[d]thiazoles: Lead generation and optimization toward potent and orally active EP1 receptor antagonists
-
Umei, K.; Nishigaya, Y.; Tatani, K.; Kohno, Y.; Tanaka, N.; Seto, S. Identification of novel 1,2,3,6-tetrahydropyridyl-substituted benzo[d]thiazoles: Lead generation and optimization toward potent and orally active EP1 receptor antagonists. Bioorg. Med. Chem. 2017, 25 (13), 3406-3430, 10.1016/j.bmc.2017.04.028
-
(2017)
Bioorg. Med. Chem.
, vol.25
, Issue.13
, pp. 3406-3430
-
-
Umei, K.1
Nishigaya, Y.2
Tatani, K.3
Kohno, Y.4
Tanaka, N.5
Seto, S.6
-
274
-
-
85018752175
-
Identification of a novel fluoropyrrole derivative as a potassium-competitive acid blocker with long duration of action
-
Nishida, H.; Arikawa, Y.; Hirase, K.; Imaeda, T.; Inatomi, N.; Hori, Y.; Matsukawa, J.; Fujioka, Y.; Hamada, T.; Iida, M.; Nishitani, M.; Imanishi, A.; Fukui, H.; Itoh, F.; Kajino, M. Identification of a novel fluoropyrrole derivative as a potassium-competitive acid blocker with long duration of action. Bioorg. Med. Chem. 2017, 25 (13), 3298-3314, 10.1016/j.bmc.2017.04.014
-
(2017)
Bioorg. Med. Chem.
, vol.25
, Issue.13
, pp. 3298-3314
-
-
Nishida, H.1
Arikawa, Y.2
Hirase, K.3
Imaeda, T.4
Inatomi, N.5
Hori, Y.6
Matsukawa, J.7
Fujioka, Y.8
Hamada, T.9
Iida, M.10
Nishitani, M.11
Imanishi, A.12
Fukui, H.13
Itoh, F.14
Kajino, M.15
-
275
-
-
84936883323
-
Optimization of novel antagonists to the neurokinin-3 receptor for the treatment of sex-hormone disorders (part II)
-
Hoveyda, H. R.; Fraser, G. L.; Dutheuil, G.; El Bousmaqui, M.; Korac, J.; Lenoir, F.; Lapin, A.; Noel, S. Optimization of novel antagonists to the neurokinin-3 receptor for the treatment of sex-hormone disorders (part II). ACS Med. Chem. Lett. 2015, 6 (7), 736-740, 10.1021/acsmedchemlett.5b00117
-
(2015)
ACS Med. Chem. Lett.
, vol.6
, Issue.7
, pp. 736-740
-
-
Hoveyda, H.R.1
Fraser, G.L.2
Dutheuil, G.3
El Bousmaqui, M.4
Korac, J.5
Lenoir, F.6
Lapin, A.7
Noel, S.8
-
276
-
-
85021665586
-
Pyrazolo[3,4-d]pyrimidines as sigma-1 receptor ligands for the treatment of pain. Part 2: Introduction of cyclic substituents in position 4
-
Díaz, J. L.; Corbera, J.; Martínez, D.; Bordas, M.; Sicre, C.; Pascual, R.; Pretel, M. J.; Marín, A. P.; Montero, A.; Dordal, A.; Alvarez, I.; Almansa, C. Pyrazolo[3,4-d]pyrimidines as sigma-1 receptor ligands for the treatment of pain. Part 2: Introduction of cyclic substituents in position 4. MedChemComm 2017, 8 (6), 1246-1254, 10.1039/C7MD00078B
-
(2017)
MedChemComm
, vol.8
, Issue.6
, pp. 1246-1254
-
-
Díaz, J.L.1
Corbera, J.2
Martínez, D.3
Bordas, M.4
Sicre, C.5
Pascual, R.6
Pretel, M.J.7
Marín, A.P.8
Montero, A.9
Dordal, A.10
Alvarez, I.11
Almansa, C.12
-
277
-
-
84924666080
-
Discovery of AZD3147: A potent, selective dual inhibitor of mTORC1 and mTORC2
-
Pike, K. G.; Morris, J.; Ruston, L.; Pass, S. L.; Greenwood, R.; Williams, E. J.; Demeritt, J.; Culshaw, J. D.; Gill, K.; Pass, M.; Finlay, M. R.; Good, C. J.; Roberts, C. A.; Currie, G. S.; Blades, K.; Eden, J. M.; Pearson, S. E. Discovery of AZD3147: a potent, selective dual inhibitor of mTORC1 and mTORC2. J. Med. Chem. 2015, 58 (5), 2326-2349, 10.1021/jm501778s
-
(2015)
J. Med. Chem.
, vol.58
, Issue.5
, pp. 2326-2349
-
-
Pike, K.G.1
Morris, J.2
Ruston, L.3
Pass, S.L.4
Greenwood, R.5
Williams, E.J.6
Demeritt, J.7
Culshaw, J.D.8
Gill, K.9
Pass, M.10
Finlay, M.R.11
Good, C.J.12
Roberts, C.A.13
Currie, G.S.14
Blades, K.15
Eden, J.M.16
Pearson, S.E.17
-
278
-
-
85028626581
-
Optimization of allosteric with-no-lysine (WNK) kinase inhibitors and efficacy in rodent hypertension models
-
Yamada, K.; Levell, J.; Yoon, T.; Kohls, D.; Yowe, D.; Rigel, D. F.; Imase, H.; Yuan, J.; Yasoshima, K.; DiPetrillo, K.; Monovich, L.; Xu, L.; Zhu, M.; Kato, M.; Jain, M.; Idamakanti, N.; Taslimi, P.; Kawanami, T.; Argikar, U. A.; Kunjathoor, V.; Xie, X.; Yagi, Y. I.; Iwaki, Y.; Robinson, Z.; Park, H. M. Optimization of allosteric with-no-lysine (WNK) kinase inhibitors and efficacy in rodent hypertension models. J. Med. Chem. 2017, 60 (16), 7099-7107, 10.1021/acs.jmedchem.7b00708
-
(2017)
J. Med. Chem.
, vol.60
, Issue.16
, pp. 7099-7107
-
-
Yamada, K.1
Levell, J.2
Yoon, T.3
Kohls, D.4
Yowe, D.5
Rigel, D.F.6
Imase, H.7
Yuan, J.8
Yasoshima, K.9
DiPetrillo, K.10
Monovich, L.11
Xu, L.12
Zhu, M.13
Kato, M.14
Jain, M.15
Idamakanti, N.16
Taslimi, P.17
Kawanami, T.18
Argikar, U.A.19
Kunjathoor, V.20
Xie, X.21
Yagi, Y.I.22
Iwaki, Y.23
Robinson, Z.24
Park, H.M.25
more..
-
279
-
-
84962189595
-
Discovery of a potent free fatty acid 1 receptor agonist with low lipophilicity, low polar surface area, and robust in vivo efficacy
-
Hansen, S. V.; Christiansen, E.; Urban, C.; Hudson, B. D.; Stocker, C. J.; Due-Hansen, M. E.; Wargent, E. T.; Shimpukade, B.; Almeida, R.; Ejsing, C. S.; Cawthorne, M. A.; Kassack, M. U.; Milligan, G.; Ulven, T. Discovery of a potent free fatty acid 1 receptor agonist with low lipophilicity, low polar surface area, and robust in vivo efficacy. J. Med. Chem. 2016, 59 (6), 2841-2846, 10.1021/acs.jmedchem.5b01962
-
(2016)
J. Med. Chem.
, vol.59
, Issue.6
, pp. 2841-2846
-
-
Hansen, S.V.1
Christiansen, E.2
Urban, C.3
Hudson, B.D.4
Stocker, C.J.5
Due-Hansen, M.E.6
Wargent, E.T.7
Shimpukade, B.8
Almeida, R.9
Ejsing, C.S.10
Cawthorne, M.A.11
Kassack, M.U.12
Milligan, G.13
Ulven, T.14
-
280
-
-
84922689114
-
Discovery of novel 2-(alkylmorpholin-4-yl)-6-(3-fluoropyridin-4-yl)-pyrimidin-4(3H)-ones as orally-active GSK-3beta inhibitors for Alzheimer's disease
-
Fukunaga, K.; Sakai, D.; Watanabe, K.; Nakayama, K.; Kohara, T.; Tanaka, H.; Sunada, S.; Nabeno, M.; Okamoto, M.; Saito, K.; Eguchi, J.; Mori, A.; Tanaka, S.; Inazawa, K.; Horikawa, T. Discovery of novel 2-(alkylmorpholin-4-yl)-6-(3-fluoropyridin-4-yl)-pyrimidin-4(3H)-ones as orally-active GSK-3beta inhibitors for Alzheimer's disease. Bioorg. Med. Chem. Lett. 2015, 25 (5), 1086-1091, 10.1016/j.bmcl.2015.01.005
-
(2015)
Bioorg. Med. Chem. Lett.
, vol.25
, Issue.5
, pp. 1086-1091
-
-
Fukunaga, K.1
Sakai, D.2
Watanabe, K.3
Nakayama, K.4
Kohara, T.5
Tanaka, H.6
Sunada, S.7
Nabeno, M.8
Okamoto, M.9
Saito, K.10
Eguchi, J.11
Mori, A.12
Tanaka, S.13
Inazawa, K.14
Horikawa, T.15
-
281
-
-
84971665242
-
Discovery of a potent, selective, orally bioavailable, and efficacious novel 2-(pyrazol-4-ylamino)-pyrimidine inhibitor of the insulin-like growth factor-1 receptor (IGF-1R)
-
Degorce, S. L.; Boyd, S.; Curwen, J. O.; Ducray, R.; Halsall, C. T.; Jones, C. D.; Lach, F.; Lenz, E. M.; Pass, M.; Pass, S.; Trigwell, C. Discovery of a potent, selective, orally bioavailable, and efficacious novel 2-(pyrazol-4-ylamino)-pyrimidine inhibitor of the insulin-like growth factor-1 receptor (IGF-1R). J. Med. Chem. 2016, 59 (10), 4859-4866, 10.1021/acs.jmedchem.6b00203
-
(2016)
J. Med. Chem.
, vol.59
, Issue.10
, pp. 4859-4866
-
-
Degorce, S.L.1
Boyd, S.2
Curwen, J.O.3
Ducray, R.4
Halsall, C.T.5
Jones, C.D.6
Lach, F.7
Lenz, E.M.8
Pass, M.9
Pass, S.10
Trigwell, C.11
-
282
-
-
85038402096
-
The discovery of 3-((4-chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1 H-pyrazole-4-carboxamide, a highly ligand efficient and efficacious janus kinase 1 selective inhibitor with favorable pharmacokinetic properties
-
Siu, T.; Brubaker, J.; Fuller, P.; Torres, L.; Zeng, H.; Close, J.; Mampreian, D. M.; Shi, F.; Liu, D.; Fradera, X.; Johnson, K.; Bays, N.; Kadic, E.; He, F.; Goldenblatt, P.; Shaffer, L.; Patel, S. B.; Lesburg, C. A.; Alpert, C.; Dorosh, L.; Deshmukh, S. V.; Yu, H.; Klappenbach, J.; Elwood, F.; Dinsmore, C. J.; Fernandez, R.; Moy, L.; Young, J. R. The discovery of 3-((4-chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1 H-pyrazole-4-carboxamide, a highly ligand efficient and efficacious janus kinase 1 selective inhibitor with favorable pharmacokinetic properties. J. Med. Chem. 2017, 60 (23), 9676-9690, 10.1021/acs.jmedchem.7b01135
-
(2017)
J. Med. Chem.
, vol.60
, Issue.23
, pp. 9676-9690
-
-
Siu, T.1
Brubaker, J.2
Fuller, P.3
Torres, L.4
Zeng, H.5
Close, J.6
Mampreian, D.M.7
Shi, F.8
Liu, D.9
Fradera, X.10
Johnson, K.11
Bays, N.12
Kadic, E.13
He, F.14
Goldenblatt, P.15
Shaffer, L.16
Patel, S.B.17
Lesburg, C.A.18
Alpert, C.19
Dorosh, L.20
Deshmukh, S.V.21
Yu, H.22
Klappenbach, J.23
Elwood, F.24
Dinsmore, C.J.25
Fernandez, R.26
Moy, L.27
Young, J.R.28
more..
-
283
-
-
84981727586
-
Discovery of oxa-sultams as RORc inverse agonists showing reduced lipophilicity, improved selectivity and favorable ADME properties
-
Rene, O.; Fauber, B. P.; Barnard, A.; Chapman, K.; Deng, Y.; Eidenschenk, C.; Everett, C.; Gobbi, A.; Johnson, A. R.; La, H.; Norman, M.; Salmon, G.; Summerhill, S.; Wong, H. Discovery of oxa-sultams as RORc inverse agonists showing reduced lipophilicity, improved selectivity and favorable ADME properties. Bioorg. Med. Chem. Lett. 2016, 26 (18), 4455-4461, 10.1016/j.bmcl.2016.07.081
-
(2016)
Bioorg. Med. Chem. Lett.
, vol.26
, Issue.18
, pp. 4455-4461
-
-
Rene, O.1
Fauber, B.P.2
Barnard, A.3
Chapman, K.4
Deng, Y.5
Eidenschenk, C.6
Everett, C.7
Gobbi, A.8
Johnson, A.R.9
La, H.10
Norman, M.11
Salmon, G.12
Summerhill, S.13
Wong, H.14
-
284
-
-
84963969024
-
Optimization of amide-based EP3 receptor antagonists
-
Lee, E. C.; Futatsugi, K.; Arcari, J. T.; Bahnck, K.; Coffey, S. B.; Derksen, D. R.; Kalgutkar, A. S.; Loria, P. M.; Sharma, R. Optimization of amide-based EP3 receptor antagonists. Bioorg. Med. Chem. Lett. 2016, 26 (11), 2670-2675, 10.1016/j.bmcl.2016.04.009
-
(2016)
Bioorg. Med. Chem. Lett.
, vol.26
, Issue.11
, pp. 2670-2675
-
-
Lee, E.C.1
Futatsugi, K.2
Arcari, J.T.3
Bahnck, K.4
Coffey, S.B.5
Derksen, D.R.6
Kalgutkar, A.S.7
Loria, P.M.8
Sharma, R.9
-
285
-
-
84978634494
-
Discovery of the potent and selective M1 PAM-agonist N-[(3R,4S)-3-hydroxytetrahydro-2H-pyran-4-yl]-5-methyl-4-[4-(1,3-thiazol-4-yl)ben zyl]pyridine-2-carboxamide (PF-06767832): Evaluation of efficacy and cholinergic side effects
-
Davoren, J. E.; Lee, C. W.; Garnsey, M.; Brodney, M. A.; Cordes, J.; Dlugolenski, K.; Edgerton, J. R.; Harris, A. R.; Helal, C. J.; Jenkinson, S.; Kauffman, G. W.; Kenakin, T. P.; Lazzaro, J. T.; Lotarski, S. M.; Mao, Y.; Nason, D. M.; Northcott, C.; Nottebaum, L.; O'Neil, S. V.; Pettersen, B.; Popiolek, M.; Reinhart, V.; Salomon-Ferrer, R.; Steyn, S. J.; Webb, D.; Zhang, L.; Grimwood, S. Discovery of the potent and selective M1 PAM-agonist N-[(3R,4S)-3-hydroxytetrahydro-2H-pyran-4-yl]-5-methyl-4-[4-(1,3-thiazol-4-yl)ben zyl]pyridine-2-carboxamide (PF-06767832): evaluation of efficacy and cholinergic side effects. J. Med. Chem. 2016, 59 (13), 6313-6328, 10.1021/acs.jmedchem.6b00544
-
(2016)
J. Med. Chem.
, vol.59
, Issue.13
, pp. 6313-6328
-
-
Davoren, J.E.1
Lee, C.W.2
Garnsey, M.3
Brodney, M.A.4
Cordes, J.5
Dlugolenski, K.6
Edgerton, J.R.7
Harris, A.R.8
Helal, C.J.9
Jenkinson, S.10
Kauffman, G.W.11
Kenakin, T.P.12
Lazzaro, J.T.13
Lotarski, S.M.14
Mao, Y.15
Nason, D.M.16
Northcott, C.17
Nottebaum, L.18
O'Neil, S.V.19
Pettersen, B.20
Popiolek, M.21
Reinhart, V.22
Salomon-Ferrer, R.23
Steyn, S.J.24
Webb, D.25
Zhang, L.26
Grimwood, S.27
more..
-
286
-
-
84921490348
-
Discovery of AZD6642, an inhibitor of 5-lipoxygenase activating protein (FLAP) for the treatment of inflammatory diseases
-
Lemurell, M.; Ulander, J.; Winiwarter, S.; Dahlen, A.; Davidsson, O.; Emtenas, H.; Broddefalk, J.; Swanson, M.; Hovdal, D.; Plowright, A. T.; Pettersen, A.; Ryden-Landergren, M.; Barlind, J.; Llinas, A.; Herslof, M.; Drmota, T.; Sigfridsson, K.; Moses, S.; Whatling, C. Discovery of AZD6642, an inhibitor of 5-lipoxygenase activating protein (FLAP) for the treatment of inflammatory diseases. J. Med. Chem. 2015, 58 (2), 897-911, 10.1021/jm501531v
-
(2015)
J. Med. Chem.
, vol.58
, Issue.2
, pp. 897-911
-
-
Lemurell, M.1
Ulander, J.2
Winiwarter, S.3
Dahlen, A.4
Davidsson, O.5
Emtenas, H.6
Broddefalk, J.7
Swanson, M.8
Hovdal, D.9
Plowright, A.T.10
Pettersen, A.11
Ryden-Landergren, M.12
Barlind, J.13
Llinas, A.14
Herslof, M.15
Drmota, T.16
Sigfridsson, K.17
Moses, S.18
Whatling, C.19
-
287
-
-
84902455683
-
Discovery of (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(m etheno)pyrazolo[4,3-h][2,5,11]-benzoxadiazacyclotetradecine-3-carbonitrile (PF-06463922), a macrocyclic inhibitor of anaplastic lymphoma kinase (ALK) and c-ros oncogene 1 (ROS1) with preclinical brain exposure and broad-spectrum potency against ALK-resistant mutations
-
Johnson, T. W.; Richardson, P. F.; Bailey, S.; Brooun, A.; Burke, B. J.; Collins, M. R.; Cui, J. J.; Deal, J. G.; Deng, Y. L.; Dinh, D.; Engstrom, L. D.; He, M.; Hoffman, J.; Hoffman, R. L.; Huang, Q.; Kania, R. S.; Kath, J. C.; Lam, H.; Lam, J. L.; Le, P. T.; Lingardo, L.; Liu, W.; McTigue, M.; Palmer, C. L.; Sach, N. W.; Smeal, T.; Smith, G. L.; Stewart, A. E.; Timofeevski, S.; Zhu, H.; Zhu, J.; Zou, H. Y.; Edwards, M. P. Discovery of (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(m etheno)pyrazolo[4,3-h][2,5,11]-benzoxadiazacyclotetradecine-3-carbonitrile (PF-06463922), a macrocyclic inhibitor of anaplastic lymphoma kinase (ALK) and c-ros oncogene 1 (ROS1) with preclinical brain exposure and broad-spectrum potency against ALK-resistant mutations. J. Med. Chem. 2014, 57 (11), 4720-4744, 10.1021/jm500261q
-
(2014)
J. Med. Chem.
, vol.57
, Issue.11
, pp. 4720-4744
-
-
Johnson, T.W.1
Richardson, P.F.2
Bailey, S.3
Brooun, A.4
Burke, B.J.5
Collins, M.R.6
Cui, J.J.7
Deal, J.G.8
Deng, Y.L.9
Dinh, D.10
Engstrom, L.D.11
He, M.12
Hoffman, J.13
Hoffman, R.L.14
Huang, Q.15
Kania, R.S.16
Kath, J.C.17
Lam, H.18
Lam, J.L.19
Le, P.T.20
Lingardo, L.21
Liu, W.22
McTigue, M.23
Palmer, C.L.24
Sach, N.W.25
Smeal, T.26
Smith, G.L.27
Stewart, A.E.28
Timofeevski, S.29
Zhu, H.30
Zhu, J.31
Zou, H.Y.32
Edwards, M.P.33
more..
-
288
-
-
85032446952
-
Discovery of a novel piperidine-based inhibitor of cholesteryl ester transfer protein (CETP) that retains activity in hypertriglyceridemic plasma
-
Yamada, K.; Brousseau, M.; Honma, W.; Iimura, A.; Imase, H.; Iwaki, Y.; Kawanami, T.; LaSala, D.; Liang, G.; Mitani, H.; Nonomura, K.; Ohmori, O.; Pan, M.; Rigel, D. F.; Umemura, I.; Yasoshima, K.; Zhu, G.; Mogi, M. Discovery of a novel piperidine-based inhibitor of cholesteryl ester transfer protein (CETP) that retains activity in hypertriglyceridemic plasma. J. Med. Chem. 2017, 60 (20), 8466-8481, 10.1021/acs.jmedchem.7b00900
-
(2017)
J. Med. Chem.
, vol.60
, Issue.20
, pp. 8466-8481
-
-
Yamada, K.1
Brousseau, M.2
Honma, W.3
Iimura, A.4
Imase, H.5
Iwaki, Y.6
Kawanami, T.7
LaSala, D.8
Liang, G.9
Mitani, H.10
Nonomura, K.11
Ohmori, O.12
Pan, M.13
Rigel, D.F.14
Umemura, I.15
Yasoshima, K.16
Zhu, G.17
Mogi, M.18
-
289
-
-
84871126379
-
What can we learn from the evolution of protein-ligand interactions to aid the design of new therapeutics?
-
Higueruelo, A. P.; Schreyer, A.; Bickerton, G. R.; Blundell, T. L.; Pitt, W. R. What can we learn from the evolution of protein-ligand interactions to aid the design of new therapeutics?. PLoS One 2012, 7 (12), e51742, 10.1371/journal.pone.0051742
-
(2012)
PLoS One
, vol.7
, Issue.12
, pp. e51742
-
-
Higueruelo, A.P.1
Schreyer, A.2
Bickerton, G.R.3
Blundell, T.L.4
Pitt, W.R.5
-
290
-
-
84889581795
-
Chemical predictive modelling to improve compound quality
-
Cumming, J. G.; Davis, A. M.; Muresan, S.; Haeberlein, M.; Chen, H. Chemical predictive modelling to improve compound quality. Nat. Rev. Drug Discovery 2013, 12 (12), 948-962, 10.1038/nrd4128
-
(2013)
Nat. Rev. Drug Discovery
, vol.12
, Issue.12
, pp. 948-962
-
-
Cumming, J.G.1
Davis, A.M.2
Muresan, S.3
Haeberlein, M.4
Chen, H.5
-
291
-
-
85026398938
-
Sustainable practices in medicinal chemistry part 2: Green by design
-
Aliagas, I.; Berger, R.; Goldberg, K.; Nishimura, R. T.; Reilly, J.; Richardson, P.; Richter, D.; Sherer, E. C.; Sparling, B. A.; Bryan, M. C. Sustainable practices in medicinal chemistry part 2: green by design. J. Med. Chem. 2017, 60 (14), 5955-5968, 10.1021/acs.jmedchem.6b01837
-
(2017)
J. Med. Chem.
, vol.60
, Issue.14
, pp. 5955-5968
-
-
Aliagas, I.1
Berger, R.2
Goldberg, K.3
Nishimura, R.T.4
Reilly, J.5
Richardson, P.6
Richter, D.7
Sherer, E.C.8
Sparling, B.A.9
Bryan, M.C.10
-
292
-
-
84944274915
-
Cheminformatic comparison of approved drugs from natural product versus synthetic origins
-
Stratton, C. F.; Newman, D. J.; Tan, D. S. Cheminformatic comparison of approved drugs from natural product versus synthetic origins. Bioorg. Med. Chem. Lett. 2015, 25 (21), 4802-4807, 10.1016/j.bmcl.2015.07.014
-
(2015)
Bioorg. Med. Chem. Lett.
, vol.25
, Issue.21
, pp. 4802-4807
-
-
Stratton, C.F.1
Newman, D.J.2
Tan, D.S.3
-
293
-
-
84933056390
-
Analysis of physicochemical properties for drugs of natural origin
-
Camp, D.; Garavelas, A.; Campitelli, M. Analysis of physicochemical properties for drugs of natural origin. J. Nat. Prod. 2015, 78 (6), 1370-1382, 10.1021/acs.jnatprod.5b00255
-
(2015)
J. Nat. Prod.
, vol.78
, Issue.6
, pp. 1370-1382
-
-
Camp, D.1
Garavelas, A.2
Campitelli, M.3
-
294
-
-
84926205808
-
The re-emergence of natural products for drug discovery in the genomics era
-
Harvey, A. L.; Edrada-Ebel, R.; Quinn, R. J. The re-emergence of natural products for drug discovery in the genomics era. Nat. Rev. Drug Discovery 2015, 14 (2), 111-129, 10.1038/nrd4510
-
(2015)
Nat. Rev. Drug Discovery
, vol.14
, Issue.2
, pp. 111-129
-
-
Harvey, A.L.1
Edrada-Ebel, R.2
Quinn, R.J.3
-
295
-
-
84871599677
-
Natural-product-derived fragments for fragment-based ligand discovery
-
Over, B.; Wetzel, S.; Grutter, C.; Nakai, Y.; Renner, S.; Rauh, D.; Waldmann, H. Natural-product-derived fragments for fragment-based ligand discovery. Nat. Chem. 2013, 5 (1), 21-28, 10.1038/nchem.1506
-
(2013)
Nat. Chem.
, vol.5
, Issue.1
, pp. 21-28
-
-
Over, B.1
Wetzel, S.2
Grutter, C.3
Nakai, Y.4
Renner, S.5
Rauh, D.6
Waldmann, H.7
-
296
-
-
84926456761
-
Natural product-derived and natural product-inspired compound collections
-
Wiley-VCH Verlag GmbH & Co. KGaA
-
Rizzo, S.; Wakchaure, V.; Waldmann, H. Natural product-derived and natural product-inspired compound collections. In Natural Products in Medicinal Chemistry; Wiley-VCH Verlag GmbH & Co. KGaA, 2014; pp 43-80, DOI: 10.1002/9783527676545.ch02.
-
(2014)
Natural Products in Medicinal Chemistry
, pp. 43-80
-
-
Rizzo, S.1
Wakchaure, V.2
Waldmann, H.3
-
297
-
-
80052830823
-
How well do medicinal chemists learn from experience?
-
Cheshire, D. R. How well do medicinal chemists learn from experience?. Drug Discovery Today 2011, 16 (17-18), 817-821, 10.1016/j.drudis.2011.06.005
-
(2011)
Drug Discovery Today
, vol.16
, Issue.1718
, pp. 817-821
-
-
Cheshire, D.R.1
-
298
-
-
85022180845
-
Industrial medicinal chemistry insights: Neuroscience hit generation at Janssen
-
Tresadern, G.; Rombouts, F. J. R.; Oehlrich, D.; Macdonald, G.; Trabanco, A. A. Industrial medicinal chemistry insights: neuroscience hit generation at Janssen. Drug Discovery Today 2017, 22 (10), 1478-1488, 10.1016/j.drudis.2017.05.013
-
(2017)
Drug Discovery Today
, vol.22
, Issue.10
, pp. 1478-1488
-
-
Tresadern, G.1
Rombouts, F.J.R.2
Oehlrich, D.3
MacDonald, G.4
Trabanco, A.A.5
-
299
-
-
84875779756
-
Application of in silico, in vitro and preclinical pharmacokinetic data for the effective and efficient prediction of human pharmacokinetics
-
Grime, K. H.; Barton, P.; McGinnity, D. F. Application of in silico, in vitro and preclinical pharmacokinetic data for the effective and efficient prediction of human pharmacokinetics. Mol. Pharmaceutics 2013, 10 (4), 1191-1206, 10.1021/mp300476z
-
(2013)
Mol. Pharmaceutics
, vol.10
, Issue.4
, pp. 1191-1206
-
-
Grime, K.H.1
Barton, P.2
McGinnity, D.F.3
-
300
-
-
84949449315
-
Optimization of human dose prediction by using quantitative and translational pharmacology in drug discovery
-
Bueters, T.; Gibson, C.; Visser, S. A. Optimization of human dose prediction by using quantitative and translational pharmacology in drug discovery. Future Med. Chem. 2015, 7 (17), 2351-2369, 10.4155/fmc.15.143
-
(2015)
Future Med. Chem.
, vol.7
, Issue.17
, pp. 2351-2369
-
-
Bueters, T.1
Gibson, C.2
Visser, S.A.3
-
301
-
-
84957845231
-
The drug-target residence time model: A 10-year retrospective
-
Copeland, R. A. The drug-target residence time model: a 10-year retrospective. Nat. Rev. Drug Discovery 2016, 15, 87-95, 10.1038/nrd.2015.18
-
(2016)
Nat. Rev. Drug Discovery
, vol.15
, pp. 87-95
-
-
Copeland, R.A.1
-
302
-
-
85041108241
-
Protac-induced protein degradation in drug discovery: Breaking the rules or just making new ones?
-
Churcher, I. Protac-induced protein degradation in drug discovery: breaking the rules or just making new ones?. J. Med. Chem. 2018, 61 (2), 444-452, 10.1021/acs.jmedchem.7b01272
-
(2018)
J. Med. Chem.
, vol.61
, Issue.2
, pp. 444-452
-
-
Churcher, I.1
-
303
-
-
85041303900
-
Automating drug discovery
-
Schneider, G. Automating drug discovery. Nat. Rev. Drug Discovery 2018, 17 (2), 97-113, 10.1038/nrd.2017.232
-
(2018)
Nat. Rev. Drug Discovery
, vol.17
, Issue.2
, pp. 97-113
-
-
Schneider, G.1
-
304
-
-
85043498559
-
Efficient syntheses of diverse, medicinally relevant targets planned by computer and executed in the laboratory
-
Klucznik, T.; Mikulak-Klucznik, B.; McCormack, M. P.; Lima, H.; Szymkuć, S.; Bhowmick, M.; Molga, K.; Zhou, Y.; Rickershauser, L.; Gajewska, E. P.; Toutchkine, A.; Dittwald, P.; Startek, M. P.; Kirkovits, G. J.; Roszak, R.; Adamski, A.; Sieredzińska, B.; Mrksich, M.; Trice, S. L. J.; Grzybowski, B. A. Efficient syntheses of diverse, medicinally relevant targets planned by computer and executed in the laboratory. Chem. 2018, 4 (3), 522-532, 10.1016/j.chempr.2018.02.002
-
(2018)
Chem.
, vol.4
, Issue.3
, pp. 522-532
-
-
Klucznik, T.1
Mikulak-Klucznik, B.2
McCormack, M.P.3
Lima, H.4
Szymkuć, S.5
Bhowmick, M.6
Molga, K.7
Zhou, Y.8
Rickershauser, L.9
Gajewska, E.P.10
Toutchkine, A.11
Dittwald, P.12
Startek, M.P.13
Kirkovits, G.J.14
Roszak, R.15
Adamski, A.16
Sieredzińska, B.17
Mrksich, M.18
Trice, S.L.J.19
Grzybowski, B.A.20
more..
-
305
-
-
85030694245
-
Entering the "big data" era in medicinal chemistry: Molecular promiscuity analysis revisited
-
Hu, Y.; Bajorath, J. Entering the "big data" era in medicinal chemistry: molecular promiscuity analysis revisited. Future Sci. OA 2017, 3 (2), FSO179, 10.4155/fsoa-2017-0001
-
(2017)
Future Sci. OA
, vol.3
, Issue.2
, pp. FSO179
-
-
Hu, Y.1
Bajorath, J.2
-
306
-
-
84861620361
-
Medicinal chemistry matters - A call for discipline in our discipline
-
Johnstone, C. Medicinal chemistry matters-a call for discipline in our discipline. Drug Discovery Today 2012, 17 (11-12), 538-543, 10.1016/j.drudis.2012.01.010
-
(2012)
Drug Discovery Today
, vol.17
, Issue.1112
, pp. 538-543
-
-
Johnstone, C.1
|