SCOPUS 정보 검색 플랫폼

Journal of Computer-Aided Molecular Design

Volumn 25, Issue 6, 2011, Pages 569-581

Application of shape-based and pharmacophore-based in silico screens for identification of Type II protein kinase inhibitors

(3) Mucs, Daniel a Bryce, Richard A a Bonnet, Pascal b

a UNIVERSITY OF MANCHESTER (United Kingdom)

b JANSSEN RESEARCH AND DEVELOPMENT (Belgium)

Author keywords

Pharmacophore; ROCS; Shape based screening; Type II kinase inhibitors; Virtual screening

Indexed keywords

MOLECULES; PHARMACODYNAMICS; UREA;

IN-SILICO; PHARMACOPHORES; PROTEIN KINASE; PROTEIN KINASE INHIBITORS; ROCS; SHAPE BASED; SHAPE-BASED SCREENING; TYPE II; TYPE II KINASE INHIBITOR; VIRTUAL SCREENING;

LIGANDS;

4 AMINO FURO [2,3 D]PYRIMIDINE; AMIDE; AURORA KINASE INHIBITOR; BENZOXAZOLE DERIVATIVE; DASATINIB; DORAMAPIMOD; IMATINIB; NILOTINIB; PROTEIN KINASE INHIBITOR; PROTEIN KINASE INHIBITOR TYPE 1; PROTEIN KINASE INHIBITOR TYPE 2; PYRIMIDINE DERIVATIVE; SORAFENIB; UNCLASSIFIED DRUG; UREA; VASCULOTROPIN INHIBITOR;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; COMPUTER AIDED DESIGN; COMPUTER MODEL; CRYSTAL STRUCTURE; DRUG CONFORMATION; DRUG DESIGN; DRUG IDENTIFICATION; DRUG SCREENING; DRUG STRUCTURE; DRUG TARGETING; ENZYME INHIBITION; GEOMETRY; HYDROGEN BOND; PHARMACOPHORE; PREDICTION; PRIORITY JOURNAL; PROTON TRANSPORT; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS;

EID: 80051551827 PISSN: 0920654X EISSN: 15734951 Source Type: Journal
DOI: 10.1007/s10822-011-9442-0 Document Type: Article

Times cited : (9)

References (53)

1
- 57749188299
- 10.1038/nrc2559
- JM Zhang PL Yang NS Gray 2009 Nat Rev Cancer 9 28 10.1038/nrc2559
- (2009) Nat Rev Cancer , vol.9 , pp. 28
- Zhang, J.M.¹ Yang, P.L.² Gray, N.S.³

2
- 1642323740
- Protein Kinase Inhibitors: Insights into Drug Design from Structure
- DOI 10.1126/science.1095920
- MEM Noble JA Endicott LN Johnson 2004 Science 303 1800 10.1126/science.1095920 1:CAS:528:DC%2BD2cXitFehurc%3D (Pubitemid 38374863)
- (2004) Science , vol.303 , Issue.5665 , pp. 1800-1805
- Noble, M.E.M.¹ Endicott, J.A.² Johnson, L.N.³

3
- 0023885305
- 10.1126/science.3291115 1:CAS:528:DyaL1cXlt1Cqtbw%3D
- SK Hanks AM Quinn T Hunter 1988 Science 241 42 10.1126/science.3291115 1:CAS:528:DyaL1cXlt1Cqtbw%3D
- (1988) Science , vol.241 , pp. 42
- Hanks, S.K.¹ Quinn, A.M.² Hunter, T.³

4
- 0036591874
- Structural biology in drug design: Selective protein kinase inhibitors
- DOI 10.1016/S1359-6446(02)02290-0, PII S1359644602022900
- G Scapin 2002 Drug Discov Today 7 601 10.1016/S1359-6446(02)02290-0 1:CAS:528:DC%2BD38XktFKnsLo%3D (Pubitemid 34603627)
- (2002) Drug Discovery Today , vol.7 , Issue.11 , pp. 601-611
- Scapin, G.¹

5
- 58049211592
- 10.1517/17460440802580106 1:CAS:528:DC%2BD1MXkvFCmtrY%3D
- AC Backes B Zech B Felber B Klebl G Muller 2008 Expert Opin Drug Discov 3 1427 10.1517/17460440802580106 1:CAS:528:DC%2BD1MXkvFCmtrY%3D
- (2008) Expert Opin Drug Discov , vol.3 , pp. 1427
- Backes, A.C.¹ Zech, B.² Felber, B.³ Klebl, B.⁴ Muller, G.⁵

6
- 58149102648
- 10.1021/jm8010299 1:CAS:528:DC%2BD1cXhsVWisb%2FK
- I Kufareva R Abagyan 2008 J Med Chem 51 7921 10.1021/jm8010299 1:CAS:528:DC%2BD1cXhsVWisb%2FK
- (2008) J Med Chem , vol.51 , pp. 7921
- Kufareva, I.¹ Abagyan, R.²

7
- 58049204094
- 10.1517/17460440802579975 1:CAS:528:DC%2BD1MXkvFCmtrk%3D
- AC Backes B Zech B Felber B Klebl G Muller 2008 Expert Opin Drug Discov 3 1409 10.1517/17460440802579975 1:CAS:528:DC%2BD1MXkvFCmtrk%3D
- (2008) Expert Opin Drug Discov , vol.3 , pp. 1409
- Backes, A.C.¹ Zech, B.² Felber, B.³ Klebl, B.⁴ Muller, G.⁵

8
- 33745298429
- Rational design of inhibitors that bind to inactive kinase conformations
- DOI 10.1038/nchembio799, PII N799
- Y Liu NS Gray 2006 Nat Chem Biol 2 358 10.1038/nchembio799 1:CAS:528:DC%2BD28XlvFGjs7g%3D (Pubitemid 43936934)
- (2006) Nature Chemical Biology , vol.2 , Issue.7 , pp. 358-364
- Liu, Y.¹ Gray, N.S.²

9
- 65549152514
- 10.1158/0008-5472.CAN-08-3953 1:CAS:528:DC%2BD1MXjtFyqtb0%3D
- MA Seeliger P Ranjitkar C Kasap YB Shan DE Shaw NP Shah J Kuriyan DJ Maly 2009 Cancer Res 69 2384 10.1158/0008-5472.CAN-08-3953 1:CAS:528: DC%2BD1MXjtFyqtb0%3D
- (2009) Cancer Res , vol.69 , pp. 2384
- Seeliger, M.A.¹ Ranjitkar, P.² Kasap, C.³ Shan, Y.B.⁴ Shaw, D.E.⁵ Shah, N.P.⁶ Kuriyan, J.⁷ Maly, D.J.⁸

10
- 67650960664
- 10.1007/s10822-009-9288-x 1:CAS:528:DC%2BD1MXot1Gmur0%3D
- L Neumann A Ritscher G Muller D Hafenbradl 2009 J Comp Aided Mol Des 23 501 10.1007/s10822-009-9288-x 1:CAS:528:DC%2BD1MXot1Gmur0%3D
- (2009) J Comp Aided Mol des , vol.23 , pp. 501
- Neumann, L.¹ Ritscher, A.² Muller, G.³ Hafenbradl, D.⁴

11
- 18344395134
- Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site
- DOI 10.1038/nsb770
- C Pargellis L Tong L Churchill PF Cirillo T Gilmore AG Graham PM Grob ER Hickey N Moss S Pav J Regan 2002 Nat Struct Biol 9 268 10.1038/nsb770 1:CAS:528:DC%2BD38Xis1Kisbk%3D (Pubitemid 34289898)
- (2002) Nature Structural Biology , 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

12
- 77950573400
- 10.1021/jm901443h 1:CAS:528:DC%2BD1MXhsFGhtb3K
- F Zuccotto E Ardini E Casale M Angiolini 2010 J Med Chem 53 2681 10.1021/jm901443h 1:CAS:528:DC%2BD1MXhsFGhtb3K
- (2010) J Med Chem , vol.53 , pp. 2681
- Zuccotto, F.¹ Ardini, E.² Casale, E.³ Angiolini, M.⁴

13
- 37249018999
- A pharmacophore map of small molecule protein kinase inhibitors
- DOI 10.1021/ci700244t
- MJ McGregor 2007 J Chem Inf Modell 47 2374 10.1021/ci700244t 1:CAS:528:DC%2BD2sXhtFKksL%2FO (Pubitemid 350275102)
- (2007) Journal of Chemical Information and Modeling , vol.47 , Issue.6 , pp. 2374-2382
- McGregor, M.J.¹

14
- 59149084702
- 10.1016/j.jmgm.2008.11.008 1:CAS:528:DC%2BD1MXhtlCkt7k%3D
- QQ Xie HZ Xie JX Ren LL Li SY Yang 2009 J Mol Graph Modell 27 751 10.1016/j.jmgm.2008.11.008 1:CAS:528:DC%2BD1MXhtlCkt7k%3D
- (2009) J Mol Graph Modell , vol.27 , pp. 751
- Xie, Q.Q.¹ Xie, H.Z.² Ren, J.X.³ Li, L.L.⁴ Yang, S.Y.⁵

15
- 33746258750
- A General Strategy for Creating "Inactive-Conformation" Abl Inhibitors
- DOI 10.1016/j.chembiol.2006.05.015, PII S1074552106001840
- B Okram A Nagle FJ Adrian C Lee P Ren X Wang T Sim YP Xie X Wang G Xia G Spraggon M Warmuth Y Liu NS Gray 2006 Chem Biol 13 779 10.1016/j.chembiol.2006. 05.015 1:CAS:528:DC%2BD28XntlGisL0%3D (Pubitemid 44109805)
- (2006) Chemistry and Biology , vol.13 , Issue.7 , pp. 779-786
- Okram, B.¹ Nagle, A.² Adrian, F.J.³ Lee, C.⁴ Ren, P.⁵ Wang, X.⁶ Sim, T.⁷ Xie, Y.⁸ Wang, X.⁹ Xia, G.¹⁰ Spraggon, G.¹¹ Warmuth, M.¹² Liu, Y.¹³ Gray, N.S.¹⁴

16
- 0036682301
- 1:CAS:528:DC%2BD38XlvFeltLY%3D
- B Nagar WG Bornmann P Pellicena T Schindler DR Veach WT Miller B Clarkson J Kuriyan 2002 Cancer Res 62 4236 1:CAS:528:DC%2BD38XlvFeltLY%3D
- (2002) Cancer Res , vol.62 , pp. 4236
- Nagar, B.¹ Bornmann, W.G.² Pellicena, P.³ Schindler, T.⁴ Veach, D.R.⁵ Miller, W.T.⁶ Clarkson, B.⁷ Kuriyan, J.⁸

17
- 12144289677
- Mechanism of activation of the RAF-ERK signaling pathway by oncogenic mutations of B-RAF
- DOI 10.1016/S0092-8674(04)00215-6, PII S0092867404002156
- PTC Wan MJ Garnett SM Roe S Lee D Niculescu-Duvaz VM Good CM Jones CJ Marshall CJ Springer D Barford R Marais 2004 Cell 116 855 10.1016/S0092-8674(04) 00215-6 1:CAS:528:DC%2BD2cXivVyksLw%3D (Pubitemid 38410730)
- (2004) Cell , vol.116 , Issue.6 , pp. 855-867
- Wan, P.T.C.¹ Garnett, M.J.² Roe, S.M.³ Lee, S.⁴ Niculescu-Duvaz, D.⁵ Good, V.M.⁶ Project, C.G.⁷ Jones, C.M.⁸ Marshall, C.J.⁹ Springer, C.J.¹⁰ Barford, D.¹¹ Marais, R.¹²

18
- 13844251975
- Characterization of AMN107, a selective inhibitor of native and mutant Bcr-Abl
- DOI 10.1016/j.ccr.2005.01.007
- E Weisberg PW Manley W Breitenstein J Bruggen SW Cowan-Jacob A Ray B Huntly D Fabbro G Fendrich E Hall-Meyers AL Kung J Mestan GQ Daley L Callahan L Catley C Cavazza A Mohammed D Neuberg RD Wright DG Gilliland JD Griffin 2005 Cancer Cell 7 129 10.1016/j.ccr.2005.01.007 1:CAS:528:DC%2BD2MXitFygu7o%3D (Pubitemid 40248339)
- (2005) Cancer Cell , vol.7 , Issue.2 , pp. 129-141
- Weisberg, E.¹ Manley, P.W.² Breitenstein, W.³ Bruggen, J.⁴ Cowan-Jacob, S.W.⁵ Ray, A.⁶ Huntly, B.⁷ Fabbro, D.⁸ Fendrich, G.⁹ Hall-Meyers, E.¹⁰ Kung, A.L.¹¹ Mestan, J.¹² Daley, G.Q.¹³ Callahan, L.¹⁴ Catley, L.¹⁵ Cavazza, C.¹⁶ Mohammed, A.¹⁷ Neuberg, D.¹⁸ Wright, R.D.¹⁹ Gilliland, D.G.²⁰ Griffin, J.D.²¹ more..

19
- 38749084544
- N-(3-(Phenylcarbamoyl)arylpyrimidine)-5-carboxamides as potent and selective inhibitors of Lck: Structure, synthesis and SAR
- DOI 10.1016/j.bmcl.2007.11.123, PII S0960894X07014345
- HL Deak JR Newcomb JJ Nunes C Boucher AC Cheng EF DiMauro LF Epstein P Gallant BL Hodous X Huang JH Lee VF Patel S Schneider SM Turci XT Zhu 2008 Bioorg Med Chem Lett 18 1172 10.1016/j.bmcl.2007.11.123 1:CAS:528: DC%2BD1cXhsFWlu7Y%3D (Pubitemid 351179322)
- (2008) Bioorganic and Medicinal Chemistry Letters , vol.18 , Issue.3 , pp. 1172-1176
- Deak, H.L.¹ Newcomb, J.R.² Nunes, J.J.³ Boucher, C.⁴ Cheng, A.C.⁵ DiMauro, E.F.⁶ Epstein, L.F.⁷ Gallant, P.⁸ Hodous, B.L.⁹ Huang, X.¹⁰ Lee, J.H.¹¹ Patel, V.F.¹² Schneider, S.¹³ Turci, S.M.¹⁴ Zhu, X.¹⁵

20
- 77951445358
- J Araujo R Mathew AJ Armstrong EL Braud E Posadas M Lonberg G Gallick GC Trudel P Paliwal CJ Logothetis 2009 EJC Suppl 7 415
- (2009) EJC Suppl , vol.7 , pp. 415
- Araujo, J.¹ Mathew, R.² Armstrong, A.J.³ Braud, E.L.⁴ Posadas, E.⁵ Lonberg, M.⁶ Gallick, G.⁷ Trudel, G.C.⁸ Paliwal, P.⁹ Logothetis, C.J.¹⁰

21
- 49849102479
- 10.1016/j.bmcl.2008.07.073 1:CAS:528:DC%2BD1cXhtVOnsbnJ
- JD Oslob MJ Romanowski DA Allen S Baskaran M Bui RA Elling WM Flanagan AD Fung EJ Hanan S Harris SA Heumann U Hoch JW Jacobs J Lam CE Lawrence RS McDowell MA Nannini W Shen JA Silverman MM Sopko BT Tangonan J Teague JC Yoburn CH Yu M Zhong KM Zimmerman T O'Brien W Lew 2008 Bioorg Med Chem Lett 18 4880 10.1016/j.bmcl.2008.07.073 1:CAS:528:DC%2BD1cXhtVOnsbnJ
- (2008) Bioorg Med Chem Lett , vol.18 , pp. 4880
- Oslob, J.D.¹ Romanowski, M.J.² Allen, D.A.³ Baskaran, S.⁴ Bui, M.⁵ Elling, R.A.⁶ Flanagan, W.M.⁷ Fung, A.D.⁸ Hanan, E.J.⁹ Harris, S.¹⁰ Heumann, S.A.¹¹ Hoch, U.¹² Jacobs, J.W.¹³ Lam, J.¹⁴ Lawrence, C.E.¹⁵ McDowell, R.S.¹⁶ Nannini, M.A.¹⁷ Shen, W.¹⁸ Silverman, J.A.¹⁹ Sopko, M.M.²⁰ more..

22
- 14944348527
- A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction
- DOI 10.1021/jm040163o
- TS Rush JA Grant L Mosyak A Nicholls 2005 J Med Chem 48 1489 10.1021/jm040163o 1:CAS:528:DC%2BD2MXht1Ols78%3D (Pubitemid 40364556)
- (2005) Journal of Medicinal Chemistry , vol.48 , Issue.5 , pp. 1489-1495
- Rush III, T.S.¹ Grant, J.A.² Mosyak, L.³ Nicholls, A.⁴

23
- 80051549877
- Chemical Computing Group, Montreal, QC, Canada, 2003
- Chemical Computing Group, Montreal, QC, Canada, 2003

24
- 80051547134
- Schrodinger; Schrodinger LLC
- Schrodinger; Schrodinger LLC (2005). http://www.schrodinger.com.
- (2005)

25
- 80051551709
- Omega; OpenEye Scientific Software
- Omega; OpenEye Scientific Software (1997). http://www.eyesopen.com/.
- (1997)

26
- 80051544754
- SPE, Johnson and Johnson (2009)
- SPE, Johnson and Johnson (2009)

27
- 33845717508
- Conformational boosting
- DOI 10.1071/CH06217, CH06217
- DK Agrafiotis A Gibbs FQ Zhu S Izrailev E Martin 2006 Aust J Chem 59 874 10.1071/CH06217 1:CAS:528:DC%2BD28XhtlaqsbjN (Pubitemid 44963497)
- (2006) Australian Journal of Chemistry , vol.59 , Issue.12 , pp. 874-878
- Agrafiotis, D.K.¹ Gibbs, A.² Zhu, F.³ Izrailev, S.⁴ Martin, E.⁵

28
- 5544242529
- 10.1002/(SICI)1096-987X(199905)20:7<720::AID-JCC7>3.0.CO;2-X 1:CAS:528:DyaK1MXjtVSlsrc%3D
- TA Halgren 1999 J Comput Chem 20 720 10.1002/(SICI)1096-987X(199905)20: 7<720::AID-JCC7>3.0.CO;2-X 1:CAS:528:DyaK1MXjtVSlsrc%3D
- (1999) J Comput Chem , vol.20 , pp. 720
- Halgren, T.A.¹

29
- 0037571112
- 10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P 1:CAS:528:DyaK28XhvVGmsbk%3D
- TA Halgren 1996 J Comput Chem 17 490 10.1002/(SICI)1096-987X(199604)17:5/ 6<490::AID-JCC1>3.0.CO;2-P 1:CAS:528:DyaK28XhvVGmsbk%3D
- (1996) J Comput Chem , vol.17 , pp. 490
- Halgren, T.A.¹

30
- 0011134241
- 10.1002/(SICI)1096-987X(199604)17:5/6<520::AID-JCC2>3.0.CO;2-W 1:CAS:528:DyaK28XhvVGmsbY%3D
- TA Halgren 1996 J Comput Chem 17 520 10.1002/(SICI)1096-987X(199604)17:5/ 6<520::AID-JCC2>3.0.CO;2-W 1:CAS:528:DyaK28XhvVGmsbY%3D
- (1996) J Comput Chem , vol.17 , pp. 520
- Halgren, T.A.¹

31
- 0011143599
- 10.1002/(SICI)1096-987X(199604)17:5/6<553::AID-JCC3>3.0.CO;2-T 1:CAS:528:DyaK28XhvVGmsbc%3D
- TA Halgren 1996 J Comput Chem 17 553 10.1002/(SICI)1096-987X(199604)17:5/ 6<553::AID-JCC3>3.0.CO;2-T 1:CAS:528:DyaK28XhvVGmsbc%3D
- (1996) J Comput Chem , vol.17 , pp. 553
- Halgren, T.A.¹

32
- 0001061464
- 1:CAS:528:DyaK28XhvVGmtr4%3D
- TA Halgren RB Nachbar 1996 J Comput Chem 17 587 1:CAS:528: DyaK28XhvVGmtr4%3D
- (1996) J Comput Chem , vol.17 , pp. 587
- Halgren, T.A.¹ Nachbar, R.B.²

33
- 5244268272
- 10.1002/(SICI)1096-987X(199604)17:5/6<616::AID-JCC5>3.0.CO;2-X 1:CAS:528:DyaK28XhvVGmtr8%3D
- TA Halgren 1996 J Comput Chem 17 616 10.1002/(SICI)1096-987X(199604)17:5/ 6<616::AID-JCC5>3.0.CO;2-X 1:CAS:528:DyaK28XhvVGmtr8%3D
- (1996) J Comput Chem , vol.17 , pp. 616
- Halgren, T.A.¹

34
- 73349120955
- 10.1021/ci9001926 1:CAS:528:DC%2BD1MXhsValtb%2FF
- G Tresadern DK Agrafiotis 2009 J Chem Inf Modell 49 2786 10.1021/ci9001926 1:CAS:528:DC%2BD1MXhsValtb%2FF
- (2009) J Chem Inf Modell , vol.49 , pp. 2786
- Tresadern, G.¹ Agrafiotis, D.K.²

35
- 65249089058
- 10.1021/ci8004226 1:CAS:528:DC%2BD1MXitFymu7o%3D
- J Kirchmair S Distinto P Markt D Schuster GM Spitzer KR Liedl G Wolber 2009 J Chem Inf Modell 49 678 10.1021/ci8004226 1:CAS:528:DC%2BD1MXitFymu7o%3D
- (2009) J Chem Inf Modell , vol.49 , pp. 678
- Kirchmair, J.¹ Distinto, S.² Markt, P.³ Schuster, D.⁴ Spitzer, G.M.⁵ Liedl, K.R.⁶ Wolber, G.⁷

36
- 0014757386
- 10.1016/0022-2836(70)90057-4 1:CAS:528:DyaE3cXktVShu74%3D
- SB Needleman CD Wunsch 1970 J Mol Biol 48 443 10.1016/0022-2836(70)90057- 4 1:CAS:528:DyaE3cXktVShu74%3D
- (1970) J Mol Biol , vol.48 , pp. 443
- Needleman, S.B.¹ Wunsch, C.D.²

37
- 80051553061
- Pipeline Pilot, Accelrys, Inc., San Diego, USA, 2010
- Pipeline Pilot, Accelrys, Inc., San Diego, USA, 2010

38
- 37249016887
- Fast and efficient in silico 3D screening: Toward maximum computational efficiency of pharmacophore-based and shape-based approaches
- DOI 10.1021/ci700024q
- J Kirchmair S Ristic K Eder P Markt G Wolber C Laggner T Langer 2007 J Chem Inf Modell 47 2182 10.1021/ci700024q 1:CAS:528:DC%2BD2sXhtFCisbvE (Pubitemid 350275084)
- (2007) Journal of Chemical Information and Modeling , vol.47 , Issue.6 , pp. 2182-2196
- Kirchmair, J.¹ Ristic, S.² Eder, K.³ Markt, P.⁴ Wolber, G.⁵ Laggner, C.⁶ Langer, T.⁷

39
- 0001969211
- 10.1016/S0097-8485(96)80004-0 1:CAS:528:DyaK28XhslWnsL4%3D
- M Gribskov NL Robinson 1996 Comput Chem 20 25 10.1016/S0097-8485(96) 80004-0 1:CAS:528:DyaK28XhslWnsL4%3D
- (1996) Comput Chem , vol.20 , pp. 25
- Gribskov, M.¹ Robinson, N.L.²

40
- 70350507997
- 10.1016/j.ccr.2009.09.028
- T O'Hare WC Shakespeare XT Zhu CA Eide VM Rivera F Wang LT Adrian TJ Zhou WS Huang QH Xu CA Metcalf JW Tyner MM Loriaux AS Corbin S Wardwell YY Ning JA Keats YH Wang R Sundaramoorthi M Thomas D Zhou J Snodgrass L Commodore TK Sawyer DC Dalgarno MWN Deininger BJ Druker T Clackson 2009 Cancer Cell 16 401 10.1016/j.ccr.2009.09.028
- (2009) Cancer Cell , vol.16 , pp. 401
- O'Hare, T.¹ Shakespeare, W.C.² Zhu, X.T.³ Eide, C.A.⁴ Rivera, V.M.⁵ Wang, F.⁶ Adrian, L.T.⁷ Zhou, T.J.⁸ Huang, W.S.⁹ Xu, Q.H.¹⁰ Metcalf, C.A.¹¹ Tyner, J.W.¹² Loriaux, M.M.¹³ Corbin, A.S.¹⁴ Wardwell, S.¹⁵ Ning, Y.Y.¹⁶ Keats, J.A.¹⁷ Wang, Y.H.¹⁸ Sundaramoorthi, R.¹⁹ Thomas, M.²⁰ more..

41
- 34548475073
- Design, synthesis, and evaluation of orally active benzimidazoles and benzoxazoles as vascular endothelial growth factor-2 receptor tyrosine kinase inhibitors
- DOI 10.1021/jm070034i
- MH Potashman J Bready A Coxon TM DeMelfi L DiPietro N Doerr D Elbaum J Estrada P Gallan J Germain Y Gu JC Harmange SA Kaufman R Kendall JL Kim GN Kumar AM Long S Neervannan VF Patel A Polverino P Rose S van der Plas D Whittington R Zanon HL Zhao 2007 J Med Chem 50 4351 10.1021/jm070034i 1:CAS:528: DC%2BD2sXovF2mtro%3D (Pubitemid 47378834)
- (2007) Journal of Medicinal Chemistry , vol.50 , Issue.18 , pp. 4351-4373
- Potashman, M.H.¹ Bready, J.² Coxon, A.³ Demelfi Jr., T.M.⁴ DiPietro, L.⁵ Doerr, N.⁶ Elbaum, D.⁷ Estrada, J.⁸ Gallant, P.⁹ Germain, J.¹⁰ Gu, Y.¹¹ Harmange, J.-C.¹² Kaufman, S.A.¹³ Kendall, R.¹⁴ Kim, J.L.¹⁵ Kumar, G.N.¹⁶ Long, A.M.¹⁷ Neervannan, S.¹⁸ Patel, V.F.¹⁹ Polverino, A.²⁰ more..

42
- 70350495645
- 10.1021/ci900238a 1:CAS:528:DC%2BD1MXht1ahtbnF
- P Bonnet DK Agrafiotis FQ Zhu E Martin 2009 J Chem Inf Modell 49 2242 10.1021/ci900238a 1:CAS:528:DC%2BD1MXht1ahtbnF
- (2009) J Chem Inf Modell , vol.49 , pp. 2242
- Bonnet, P.¹ Agrafiotis, D.K.² Zhu, F.Q.³ Martin, E.⁴

43
- 33847377928
- Evolution of a highly selective and potent 2-(pyridin-2-yl)-1,3,5- triazine Tie-2 kinase inhibitor
- DOI 10.1021/jm061107l
- BL Hodous SD Geuns-Meyer PE Hughes BK Albrecht S Bellon J Bready S Caenepeel VJ Cee SC Chaffee A Coxon M Emery J Fretland P Gallant Y Gu D Hoffman RE Johnson R Kendall JL Kim AM Long M Morrison PR Olivieri VF Patel A Polverino P Rose P Tempest L Wang DA Whittington HL Zhao 2007 J Med Chem 50 611 10.1021/jm061107l 1:CAS:528:DC%2BD2sXot1Siuw%3D%3D (Pubitemid 46332976)
- (2007) Journal of Medicinal Chemistry , vol.50 , Issue.4 , pp. 611-626
- Hodous, B.L.¹ Geuns-Meyer, S.D.² Hughes, P.E.³ Albrecht, B.K.⁴ Bellon, S.⁵ Bready, J.⁶ Caenepeel, S.⁷ Cee, V.J.⁸ Chaffee, S.C.⁹ Coxon, A.¹⁰ Emery, M.¹¹ Fretland, J.¹² Gallant, P.¹³ Gu, Y.¹⁴ Hoffman, D.¹⁵ Johnson, R.E.¹⁶ Kendall, R.¹⁷ Kim, J.L.¹⁸ Long, A.M.¹⁹ Morrison, M.²⁰ more..

44
- 19944434344
- Identification of novel p38α MAP kinase inhibitors using fragment-based lead generation
- DOI 10.1021/jm049575n
- AL Gill M Frederickson A Cleasby SJ Woodhead MG Carr AJ Woodhead MT Walker MS Congreve LA Devine D Tisi M O'Reilly LCA Seavers DJ Davis J Curry R Anthony A Padova CW Murray RAE Carr H Jhoti 2005 J Med Chem 48 414 10.1021/jm049575n 1:CAS:528:DC%2BD2cXhtFCiu7nJ (Pubitemid 40139784)
- (2005) Journal of Medicinal Chemistry , 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.A.¹² Davis, D.J.¹³ Curry, J.¹⁴ Anthony, E.¹⁵ Padova, A.¹⁶ Murray, C.W.¹⁷ Carr, R.A.E.¹⁸ Jhoti, H.¹⁹

45
- 20244380969
- Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors
- DOI 10.1016/j.bmcl.2005.03.034
- Y Miyazaki S Matsunaga J Tang Y Maeda M Nakano RJ Philippe M Shibahara W Liu H Sato LP Wang RT Nolte 2005 Bioorg Med Chem Lett 15 2203 10.1016/j.bmcl.2005.03.034 1:CAS:528:DC%2BD2MXjtlWqsrc%3D (Pubitemid 40523073)
- (2005) Bioorganic and Medicinal Chemistry Letters , vol.15 , Issue.9 , pp. 2203-2207
- Miyazaki, Y.¹ Matsunaga, S.² Tang, J.³ Maeda, Y.⁴ Nakano, M.⁵ Philippe, R.J.⁶ Shibahara, M.⁷ Liu, W.⁸ Sato, H.⁹ Wang, L.¹⁰ Nolte, R.T.¹¹

46
- 0001109246
- 10.1002/(SICI)1096-987X(19961115)17:14<1653::AID-JCC7>3.0.CO;2-K 1:CAS:528:DyaK28XmsVGgsrs%3D
- JA Grant MA Gallardo BT Pickup 1996 J Comput Chem 17 1653 10.1002/(SICI)1096-987X(19961115)17:14<1653::AID-JCC7>3.0.CO;2-K 1:CAS:528:DyaK28XmsVGgsrs%3D
- (1996) J Comput Chem , vol.17 , pp. 1653
- Grant, J.A.¹ Gallardo, M.A.² Pickup, B.T.³

47
- 34250839505
- Conformational sampling of bioactive molecules: A comparative study
- DOI 10.1021/ci6005454
- DK Agrafiotis AC Gibbs FQ Zhu S Izrailev E Martin 2007 J Chem Inf Modell 47 1067 10.1021/ci6005454 1:CAS:528:DC%2BD2sXjvFKgt7s%3D (Pubitemid 46973722)
- (2007) Journal of Chemical Information and Modeling , vol.47 , Issue.3 , pp. 1067-1086
- Agrafiotis, D.K.¹ Gibbs, A.C.² Zhu, F.³ Izrailev, S.⁴ Martin, E.⁵

48
- 67649992842
- 10.1021/jm9002928 1:CAS:528:DC%2BD1MXmtlWgtbY%3D
- M Getlik C Gruêtter JR Simard S Kluêter M Rabiller HB Rode A Robubi D Rauh 2009 J Med Chem 52 3915 10.1021/jm9002928 1:CAS:528: DC%2BD1MXmtlWgtbY%3D
- (2009) J Med Chem , vol.52 , pp. 3915
- Getlik, M.¹ Gruêtter, C.² Simard, J.R.³ Kluêter, S.⁴ Rabiller, M.⁵ Rode, H.B.⁶ Robubi, A.⁷ Rauh, D.⁸

49
- 67649995940
- 10.1021/ja902010p 1:CAS:528:DC%2BD1MXms1ensrk%3D
- JR Simard Mê Getlik C Gruêtter V Pawar S Wulfert M Rabiller D Rauh 2009 J Am Chem Soc 131 13286 10.1021/ja902010p 1:CAS:528: DC%2BD1MXms1ensrk%3D
- (2009) J Am Chem Soc , vol.131 , pp. 13286
- Simard, J.R.¹ Getlik, M.² Gruêtter, C.³ Pawar, V.⁴ Wulfert, S.⁵ Rabiller, M.⁶ Rauh, D.⁷

50
- 71749117560
- 10.1016/j.bmcl.2009.10.049 1:CAS:528:DC%2BD1MXhtlGisLvL
- DM Berger N Torres M Dutia D Powell G Ciszewski A Gopalsamy JI Levin KH Kim W Xu J Wilhelm Y Hu K Collins L Feldberg S Kim E Frommer D Wojciechowicz R Mallon 2009 Bioorg Med Chem Lett 19 6519 10.1016/j.bmcl.2009.10.049 1:CAS:528:DC%2BD1MXhtlGisLvL
- (2009) Bioorg Med Chem Lett , vol.19 , pp. 6519
- Berger, D.M.¹ Torres, N.² Dutia, M.³ Powell, D.⁴ Ciszewski, G.⁵ Gopalsamy, A.⁶ Levin, J.I.⁷ Kim, K.H.⁸ Xu, W.⁹ Wilhelm, J.¹⁰ Hu, Y.¹¹ Collins, K.¹² Feldberg, L.¹³ Kim, S.¹⁴ Frommer, E.¹⁵ Wojciechowicz, D.¹⁶ Mallon, R.¹⁷

51
- 65749105992
- Han S, Mistry A, Chang JS, Cunningham D, Griffor M, Bonnette PC, Wang H, Chrunyk BA, Aspnes GE, Walker DP, Brosius AD, Buckbinder L
- Han S, Mistry A, Chang JS, Cunningham D, Griffor M, Bonnette PC, Wang H, Chrunyk BA, Aspnes GE, Walker DP, Brosius AD, Buckbinder L (2009) J Bio Chem 21:13193
- (2009) J Bio Chem , vol.21 , pp. 13193

52
- 33750991346
- Benchmarking sets for molecular docking
- DOI 10.1021/jm0608356
- N Huang BK Shoichet JJ Irwin 2006 J Med Chem 49 6789 10.1021/jm0608356 1:CAS:528:DC%2BD28XhtFehurzI (Pubitemid 44749746)
- (2006) Journal of Medicinal Chemistry , vol.49 , Issue.23 , pp. 6789-6801
- Huang, N.¹ Shoichet, B.K.² Irwin, J.J.³

53
- 74049133612
- 10.1186/1758-2946-1-14
- A Jahn G Hinselmann N Fechner A Zell 2009 J Cheminform 1 14 10.1186/1758-2946-1-14
- (2009) J Cheminform , vol.1 , pp. 14
- Jahn, A.¹ Hinselmann, G.² Fechner, N.³ Zell, A.⁴

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