-
1
-
-
0037032835
-
The protein kinase complement of the human genome
-
DOI 10.1126/science.1075762
-
Manning G, White DB, Martinez RTH, Sudarsanam S (2002) The protein kinase complement of the human genome. Science 298:1912-1934. doi:10.1126/science. 1075762 (Pubitemid 35425239)
-
(2002)
Science
, vol.298
, Issue.5600
, pp. 1912-1934
-
-
Manning, G.1
Whyte, D.B.2
Martinez, R.3
Hunter, T.4
Sudarsanam, S.5
-
2
-
-
0031024171
-
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
-
doi:10.1016/S0169-409X(96)00423-1
-
Lipinski CA, Lombardo F, Dominy BW, Feeney PJ (1997) Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev 23:3-25. doi:10.1016/S0169-409X(96)00423-1
-
(1997)
Adv Drug Deliv Rev
, vol.23
, pp. 3-25
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
3
-
-
35748934487
-
The influence of drug-like concepts on decision-making in medicinal chemistry
-
DOI 10.1038/nrd2445, PII NRD2445
-
Leeson PD, Springthorpe B (2007) The influence of drug-like concepts on decision-making in medicinal chemistry. Nat Rev Drug Discov 6:881-890. doi:10.1038/nrd2445 (Pubitemid 350042396)
-
(2007)
Nature Reviews Drug Discovery
, vol.6
, Issue.11
, pp. 881-890
-
-
Leeson, P.D.1
Springthorpe, B.2
-
4
-
-
33646855259
-
-
Accelrys 8.0 edn., San Diego, CA
-
Accelrys (2009) Pipeline Pilot. 8.0 edn., San Diego, CA
-
(2009)
Pipeline Pilot
-
-
-
5
-
-
33751239466
-
In silico ADMET traffic lights as a tool for the prioritization of HTS hits
-
DOI 10.1002/cmdc.200600168
-
Lobell M, Hendrix M, Hinzen B, Keldenich J, Meier H, Schmeck C, Schohe-Loop R, Wunberg T, Hillisch A (2006) In silico ADMET traffic lights as a tool for the prioritization of HTS hits. ChemMed-Chem 1:1229-1236. doi:10.1002/cmdc.200600168 (Pubitemid 44786929)
-
(2006)
ChemMedChem
, vol.1
, Issue.11
, pp. 1229-1236
-
-
Lobell, M.1
Hendrix, M.2
Hinzen, B.3
Keldenich, J.4
Meier, H.5
Schmeck, C.6
Schohe-Loop, R.7
Wunberg, T.8
Hillisch, A.9
-
6
-
-
8644219619
-
Influence of molecular flexibility and polar surface area metrics on oral bioavailability in the rat
-
DOI 10.1021/jm0306529
-
Lu JJ, Crimin K, Goodwin JT, Crivori P, Orrenius C, Xing L, Tandler PJ, Vidmar TJ, Amore BM, Wilson AGE, Stouten PFW, Burton PS (2004) Influence of molecular flexibility and polar surface area metrics on oral bioavailability in the rat. J Med Chem 47:6104-6107. doi:10.1021/jm0306529 (Pubitemid 39507351)
-
(2004)
Journal of Medicinal Chemistry
, vol.47
, Issue.24
, pp. 6104-6107
-
-
Lu, J.J.1
Crimin, K.2
Goodwin, J.T.3
Crivori, P.4
Orrenius, C.5
Xing, L.6
Tandler, P.J.7
Vidmar, T.J.8
Amore, B.M.9
Wilson, A.G.E.10
Stouten, P.F.W.11
Burton, P.S.12
-
7
-
-
0037030653
-
Molecular properties that influence the oral bioavailability of drug candidates
-
DOI 10.1021/jm020017n
-
Veber DF, Johnson SR, Cheng H-Y, Smith BR, Ward KW, Kopple KD (2002) Molecular properties that influence the oral bioavailability of drug candidates. J Med Chem 45:2615-2623. doi:10.1021/jm020017n (Pubitemid 34595232)
-
(2002)
Journal of Medicinal Chemistry
, vol.45
, Issue.12
, pp. 2615-2623
-
-
Veber, D.F.1
Johnson, S.R.2
Cheng, H.-Y.3
Smith, B.R.4
Ward, K.W.5
Kopple, K.D.6
-
8
-
-
84858705248
-
-
Tibco Somerville, MA
-
Tibco (2011) Spotfire. Somerville, MA
-
(2011)
Spotfire
-
-
-
9
-
-
79960088065
-
Physiological relevance of cell cycle kinases
-
doi:10.1152/physrev.00025.2010
-
Malumbres M (2011) Physiological relevance of cell cycle kinases. Physiol Rev 91:973-1007. doi:10.1152/physrev.00025.2010
-
(2011)
Physiol Rev
, vol.91
, pp. 973-1007
-
-
Malumbres, M.1
-
10
-
-
84871834562
-
The Impact of protein kinase structures on drug discovery
-
Chapt 18. In: Stroud RM, Finer-Moore J (eds) The Royal Society of Chemistry, London, doi:10.1039/9781847557964
-
Zhang C, Kim S-H (2008) The Impact of protein kinase structures on drug discovery, Chapt 18. In: Stroud RM, Finer-Moore J (eds) Computational and structural approaches to drug discovery: ligand-protein interactions. The Royal Society of Chemistry, London, pp 349-365. doi:10.1039/9781847557964
-
(2008)
Computational and Structural Approaches to Drug Discovery: Ligand-protein Interactions
, pp. 349-365
-
-
Zhang, C.1
Kim, S.-H.2
-
11
-
-
41649105837
-
Kinase-likeness and kinase-privileged fragments: Toward virtual polypharmacology
-
DOI 10.1021/jm701021b
-
Aronov AM, McClain B, Moody CS, Murcko MA (2008) Kinaselikeness and kinase-privileged fragments: toward virtual polypharmacology. J Med Chem 51:1214-1222. doi:10.1021/jm701021b (Pubitemid 351480383)
-
(2008)
Journal of Medicinal Chemistry
, vol.51
, Issue.5
, pp. 1214-1222
-
-
Aronov, A.M.1
McClain, B.2
Moody, C.S.3
Murcko, M.A.4
-
12
-
-
78651107624
-
Trends in kinase selectivity: Insights for target class-focused library screening
-
doi:10.1021/jm101195a
-
Posy SL, Hermsmeier MA, Vaccaro W, Ott K-H, Todderud G, Lippy JS, Trainor GL, Loughney DA, Johnson SR (2011) Trends in kinase selectivity: insights for target class-focused library screening. J Med Chem 54:54-66. doi:10.1021/jm101195a
-
(2011)
J Med Chem
, vol.54
, pp. 54-66
-
-
Posy, S.L.1
Hermsmeier, M.A.2
Vaccaro, W.3
Ott, K.-H.4
Todderud, G.5
Lippy, J.S.6
Trainor, G.L.7
Loughney, D.A.8
Johnson, S.R.9
-
13
-
-
33845367377
-
1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazoles: Identification of a potent aurora kinase inhibitor with a favorable antitumor kinase inhibition profile
-
DOI 10.1021/jm060897w
-
Fancelli D, Moll J, Varasi M, Bravo R, Artico R, Berta D, Bindi S, Cameron A, Candiani I, Cappella P, Carpinelli P, Croci W, Forte B, Giorgini ML, Klapwijk J, Marsiglio A, Pesenti E, Rocchetti M, Roletto F, Severino D, Soncini C, Storici P, Tonani R, Zugnoni P, Vianello P (2006) 1,4,5,6- Tetrahydropyrrolo[3,4-c] pyrazoles: identification of a potent aurora kinase inhibitor with a favorable antitumor kinase inhibition profile. J Med Chem 49: 7247-7251 (Pubitemid 44886012)
-
(2006)
Journal of Medicinal Chemistry
, vol.49
, Issue.24
, pp. 7247-7251
-
-
Fancelli, D.1
Moll, J.2
Varasi, M.3
Bravo, R.4
Artico, R.5
Berta, D.6
Bindi, S.7
Cameron, A.8
Candiani, I.9
Cappella, P.10
Carpinelli, P.11
Croci, W.12
Forte, B.13
Giorgini, M.L.14
Klapwijk, J.15
Marsiglio, A.16
Pesenti, E.17
Rocchetti, M.18
Roletto, F.19
Severino, D.20
Soncini, C.21
Storici, P.22
Tonani, R.23
Zugnoni, P.24
Vianello, P.25
more..
-
14
-
-
77949366823
-
Identification of potent pyrazolo[4,3-h]quinazoline-3-carboxamides as multi-cyclin-dependent kinase inhibitors
-
doi:10.1021/jm901710h
-
Traquandi G, Ciomei M, Ballinari D, Casale E, Colombo N, Croci V, Fiorentini F, Isacchi A, Longo A, Mercurio C, Panzeri A, Pastori W, Pevarello P, Volpi D, Roussel P, Vulpetti A, Brasca MG (2010) Identification of potent pyrazolo[4,3-h]quinazoline-3-carboxamides as multi-cyclin-dependent kinase inhibitors. J Med Chem 53:2171-2187. doi:10.1021/jm901710h
-
(2010)
J Med Chem
, vol.53
, pp. 2171-2187
-
-
Traquandi, G.1
Ciomei, M.2
Ballinari, D.3
Casale, E.4
Colombo, N.5
Croci, V.6
Fiorentini, F.7
Isacchi, A.8
Longo, A.9
Mercurio, C.10
Panzeri, A.11
Pastori, W.12
Pevarello, P.13
Volpi, D.14
Roussel, P.15
Vulpetti, A.16
Brasca, M.G.17
-
15
-
-
60549104083
-
First Cdc7 kinase inhibitors: Pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery
-
doi:10.1021/jm800977q
-
Menichincheri M (2009) First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery. J Med Chem 52:293-307. doi:10.1021/jm800977q
-
(2009)
J Med Chem
, vol.52
, pp. 293-307
-
-
Menichincheri, M.1
-
16
-
-
79955560817
-
NMS-P937, a 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivative as potent and selective Polo-like kinase 1 inhibitor
-
doi:10.1016/j.bmcl.2011.03.054
-
Beria I, Bossi RT, Brasca MG, Caruso M, Ceccarelli W, Fachin G, Fasolini M, Forte B, Fiorentini F, Pesenti E, Pezzetta D, Posteri H, Scolaro A, Depaolini SR, Valsasina B (2011) NMS-P937, a 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivative as potent and selective Polo-like kinase 1 inhibitor. Bioorg Med Chem Lett 21:2969-2974. doi:10.1016/j.bmcl.2011.03.054
-
(2011)
Bioorg Med Chem Lett
, vol.21
, pp. 2969-2974
-
-
Beria, I.1
Bossi, R.T.2
Brasca, M.G.3
Caruso, M.4
Ceccarelli, W.5
Fachin, G.6
Fasolini, M.7
Forte, B.8
Fiorentini, F.9
Pesenti, E.10
Pezzetta, D.11
Posteri, H.12
Scolaro, A.13
Depaolini, S.R.14
Valsasina, B.15
-
17
-
-
77955571424
-
Crystal structures of anaplastic lymphoma kinase in complex with ATP competitive inhibitors
-
doi:10.1021/bi1005514
-
Bossi RT, Saccardo MB, Ardini E, Menichincheri M, Rusconi L, Magnaghi P, Orsini P, Avanzi N, Borgia AL, Nesi M, Bandiera T, Fogliatto G, Bertrand JA (2010) Crystal structures of anaplastic lymphoma kinase in complex with ATP competitive inhibitors. Biochemistry 49:6813-6825. doi:10.1021/bi1005514
-
(2010)
Biochemistry
, vol.49
, pp. 6813-6825
-
-
Bossi, R.T.1
Saccardo, M.B.2
Ardini, E.3
Menichincheri, M.4
Rusconi, L.5
Magnaghi, P.6
Orsini, P.7
Avanzi, N.8
Borgia, A.L.9
Nesi, M.10
Bandiera, T.11
Fogliatto, G.12
Bertrand, J.A.13
-
18
-
-
78650322902
-
Targeting the mitotic checkpoint for cancer therapy with NMS-P715, an inhibitor of MPS1 kinase
-
doi:10.1158/0008-5472.CAN-10-2101
-
Colombo R, Caldarelli M, Mennecozzi M, Giorgini ML, Sola F, Cappella P, Perrera C, Re Depaolini S, Rusconi L, Cucchi U, Avanzi N, Bertrand JA, Bossi RT, Pesenti E, Galvani A, Isacchi A, Colotta F, Donati D, Moll JK (2010) Targeting the mitotic checkpoint for cancer therapy with NMS-P715, an inhibitor of MPS1 kinase. Cancer Res 70:10255-10264. doi:10.1158/0008-5472.CAN-10-2101
-
(2010)
Cancer Res
, vol.70
, pp. 10255-10264
-
-
Colombo, R.1
Caldarelli, M.2
Mennecozzi, M.3
Giorgini, M.L.4
Sola, F.5
Cappella, P.6
Perrera, C.7
Re Depaolini, S.8
Rusconi, L.9
Cucchi, U.10
Avanzi, N.11
Bertrand, J.A.12
Bossi, R.T.13
Pesenti, E.14
Galvani, A.15
Isacchi, A.16
Colotta, F.17
Donati, D.18
Moll, J.K.19
-
19
-
-
0034665713
-
Structural mechanism for STI-571 inhibition of Abelson tyrosine kinase
-
doi:10.1126/science.289.5486.1938
-
Schindler T, Bornmann W, Pellicena P, Miller WT, Clarkson B, Kuriyan J (2000) Structural mechanism for STI-571 inhibition of Abelson tyrosine kinase. Science 289:1938-1942. doi:10.1126/science.289.5486.1938
-
(2000)
Science
, vol.289
, pp. 1938-1942
-
-
Schindler, T.1
Bornmann, W.2
Pellicena, P.3
Miller, W.T.4
Clarkson, B.5
Kuriyan, J.6
-
20
-
-
80755125575
-
Comprehensive analysis of kinase inhibitor selectivity
-
doi:10.1038/nbt.1990
-
Davis MI, Hunt JP, Herrgard S, Ciceri P, Wodicka LM, Pallares G, Hocker M, Treiber DK, Zarrinkar PP (2011) Comprehensive analysis of kinase inhibitor selectivity. Nat Biotechnol 29:1046-1051. doi:10.1038/nbt.1990
-
(2011)
Nat Biotechnol
, vol.29
, pp. 1046-1051
-
-
Davis, M.I.1
Hunt, J.P.2
Herrgard, S.3
Ciceri, P.4
Wodicka, L.M.5
Pallares, G.6
Hocker, M.7
Treiber, D.K.8
Zarrinkar, P.P.9
-
21
-
-
34548548332
-
Crystal structure of the T315I Abl mutant in complex with the Aurora kinases inhibitor PHA-739358
-
DOI 10.1158/0008-5472.CAN-07-1825
-
Modugno M, Casale E, Soncini C, Rosettani P, Colombo R, Lupi R, Rusconi L, Fancelli D, Carpinelli P, Cameron AD, Isacchi A, Moll Jr (2007) Crystal structure of the T315I Abl mutant in complex with the aurora kinases inhibitor PHA-739358. Cancer Res 67:7987-7990 (Pubitemid 47395130)
-
(2007)
Cancer Research
, vol.67
, Issue.17
, pp. 7987-7990
-
-
Modugno, M.1
Casale, E.2
Soncini, C.3
Rosettani, P.4
Colombo, R.5
Lupi, R.6
Rusconi, L.7
Fancelli, D.8
Carpinelli, P.9
Cameron, A.D.10
Isacchi, A.11
Moll, J.12
-
22
-
-
44649180430
-
Challenges in design of biochemical assays for the identification of small molecules to target multiple conformations of protein kinases
-
doi:10.1016/j.drudis.2008.03.023
-
Chene P (2008) Challenges in design of biochemical assays for the identification of small molecules to target multiple conformations of protein kinases. Drug Discov Today 13:522-529. doi:10.1016/j.drudis.2008.03.023
-
(2008)
Drug Discov Today
, vol.13
, pp. 522-529
-
-
Chene, P.1
-
23
-
-
77950573400
-
Through the "gatekeeper door": Exploiting the active kinase conformation
-
doi:10.1021/jm901443h
-
Zuccotto F, Ardini E, Casale E, Angiolini M (2010) Through the "gatekeeper door": exploiting the active kinase conformation. J Med Chem 53:2681-2694. doi:10.1021/jm901443h
-
(2010)
J Med Chem
, vol.53
, pp. 2681-2694
-
-
Zuccotto, F.1
Ardini, E.2
Casale, E.3
Angiolini, M.4
-
24
-
-
0036718795
-
ATPases as drug targets: Learning from their structure
-
doi:10.1038/nrd894
-
Chene P (2002) ATPases as drug targets: learning from their structure. Nat Rev Drug Discov 1:665-673. doi:10.1038/nrd894
-
(2002)
Nat Rev Drug Discov
, vol.1
, pp. 665-673
-
-
Chene, P.1
-
25
-
-
0032959590
-
Structural basis for inhibition of the Hsp90 molecular chaperone by the antitumor antibiotics radicicol and geldanamycin
-
DOI 10.1021/jm980403y
-
Roe SM, Prodromou C, O'Brien R, Ladbury JE, Piper PW, Pearl LH (1999) Structural basis for inhibition of the Hsp90 molecular chaperone by the antitumor antibiotics radicicol and geldanamycin. J Med Chem 42:260-266. doi:10.1021/jm980403y (Pubitemid 29069861)
-
(1999)
Journal of Medicinal Chemistry
, vol.42
, Issue.2
, pp. 260-266
-
-
Roe, S.M.1
Prodromou, C.2
O'Brien, R.3
Ladbury, J.E.4
Piper, P.W.5
Pearl, L.H.6
-
26
-
-
3142544161
-
Reliable high-throughput functional screening with 3-FABS
-
DOI 10.1016/S1359-6446(04)03161-7, PII S1359644604031617
-
Dalvit C, Ardini E, Fogliatto GP, Mongelli N, Veronesi M (2004) Reliable high-throughput functional screening with 3-FABS. Drug Discov Today 9:595-602. doi:10.1016/S1359-6446(04)03161-7 (Pubitemid 38900509)
-
(2004)
Drug Discovery Today
, vol.9
, Issue.14
, pp. 595-602
-
-
Dalvit, C.1
Ardini, E.2
Fogliatto, G.P.3
Mongelli, N.4
Veronesi, M.5
-
27
-
-
33747827255
-
NMR-based quality control approach for the identification of false positives and false negatives in high throughput screening
-
DOI 10.2174/157016306778108875
-
Dalvit C, Caronni D, Mongelli N, Veronesi M, Vulpetti A (2006) NMR-based quality control approach for the identification of false positives and false negatives in high throughput screening. Curr Drug Discov Technol 3:115-124. doi:10.2174/157016306778108875 (Pubitemid 44285197)
-
(2006)
Current Drug Discovery Technologies
, vol.3
, Issue.2
, pp. 115-124
-
-
Dalvit, C.1
Caronni, D.2
Mongelli, N.3
Veronesi, M.4
Vulpetti, A.5
-
28
-
-
77954662908
-
A novel, small molecule inhibitor of Hsc70/Hsp70 potentiates Hsp90 inhibitor induced apoptosis in HCT116 colon carcinoma cells
-
doi:10.1007/s00280-009-1194-3
-
Massey A, Williamson D, Browne H, Murray J, Dokurno P, Shaw T, Macias A, Daniels Z, Geoffroy S, Dopson M, Lavan P, Matassova N, Francis G, Graham C, Parsons R, Wang Y, Padfield A, Comer M, Drysdale M, Wood M (2010) A novel, small molecule inhibitor of Hsc70/Hsp70 potentiates Hsp90 inhibitor induced apoptosis in HCT116 colon carcinoma cells. Cancer Chemother Pharmacol 66:535-545. doi:10.1007/s00280-009-1194-3
-
(2010)
Cancer Chemother Pharmacol
, vol.66
, pp. 535-545
-
-
Massey, A.1
Williamson, D.2
Browne, H.3
Murray, J.4
Dokurno, P.5
Shaw, T.6
Macias, A.7
Daniels, Z.8
Geoffroy, S.9
Dopson, M.10
Lavan, P.11
Matassova, N.12
Francis, G.13
Graham, C.14
Parsons, R.15
Wang, Y.16
Padfield, A.17
Comer, M.18
Drysdale, M.19
Wood, M.20
more..
-
29
-
-
67649494337
-
Transforming fragments into candidates: Small becomes big in medicinal chemistry
-
doi:10.1016/j.drudis.2009.03.009
-
De Kloe GE, Bailey D, Leurs R, Esch IJP (2009) Transforming fragments into candidates: small becomes big in medicinal chemistry. Drug Discov Today 14:630-646. doi:10.1016/j.drudis.2009.03.009
-
(2009)
Drug Discov Today
, vol.14
, pp. 630-646
-
-
De Kloe, G.E.1
Bailey, D.2
Leurs, R.3
Esch, I.J.P.4
-
30
-
-
0028233855
-
Studies on aryl H-phosphonates. I. An efficient method for the preparation of deoxyribo- and ribonucleoside 3′-H-phosphonate monoesters by transesterification of diphenyl H-phosphonate
-
doi:10.1016/S0040-4039(00)76906-1
-
de Jankowska J, Sobkowski M, StawiÅski J, Kraszewski A (1994) Studies on aryl H-phosphonates. I. An efficient method for the preparation of deoxyribo- and ribonucleoside 3′-H-phosphonate monoesters by transesterification of diphenyl H-phosphonate. Tetrahedron Lett 35:3355-3358. doi:10.1016/S0040-4039(00)76906-1
-
(1994)
Tetrahedron Lett
, vol.35
, pp. 3355-3358
-
-
De Jankowska, J.1
Sobkowski, M.2
StawiÅski, J.3
Kraszewski, A.4
-
31
-
-
76449097357
-
ADPGlo: A bioluminescent and homogeneous ADP monitoring assay for kinases
-
doi:10.1089/adt.2009.0222
-
Zegzouti H, Zdanovskaia M, Hsiao K, Goueli SA (2009) ADPGlo: a bioluminescent and homogeneous ADP monitoring assay for kinases. Assay Drug Dev Technol 7:560-572. doi:10.1089/adt.2009.0222
-
(2009)
Assay Drug Dev Technol
, vol.7
, pp. 560-572
-
-
Zegzouti, H.1
Zdanovskaia, M.2
Hsiao, K.3
Goueli, S.A.4
-
32
-
-
38049018155
-
A quantitative analysis of kinase inhibitor selectivity
-
doi:10.1038/nbt1358
-
Karaman MW, Herrgard S, Treiber DK, Gallant P, Atteridge CE, Campbell BT, Chan KW, Ciceri P, Davis MI, Edeen PT, Faraoni R, Floyd M, Hunt JP, Lockhart DJ, Milanov ZV, Morrison MJ, Pallares G, Patel HK, Pritchard S, Wodicka LM, Zarrinkar PP (2008) A quantitative analysis of kinase inhibitor selectivity. Nat Biotechnol 26:127-132. doi:10.1038/nbt1358
-
(2008)
Nat Biotechnol
, vol.26
, pp. 127-132
-
-
Karaman, M.W.1
Herrgard, S.2
Treiber, D.K.3
Gallant, P.4
Atteridge, C.E.5
Campbell, B.T.6
Chan, K.W.7
Ciceri, P.8
Davis, M.I.9
Edeen, P.T.10
Faraoni, R.11
Floyd, M.12
Hunt, J.P.13
Lockhart, D.J.14
Milanov, Z.V.15
Morrison, M.J.16
Pallares, G.17
Patel, H.K.18
Pritchard, S.19
Wodicka, L.M.20
Zarrinkar, P.P.21
more..
|