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Compile Data Set for Download or QSAR

Found 568 hits with Last Name = 'greenberger' and Initial = 'lm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50214095
PNG
(CHEMBL248713 | CHEMBL511394 | N-((5-(3-(5-fluoro-1...)
Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(F)cc4[nH]3)c2c1
Show InChI InChI=1S/C21H18FN7/c1-2-23-8-12-5-13(10-24-9-12)14-6-16-19(28-29-20(16)25-11-14)21-26-17-4-3-15(22)7-18(17)27-21/h3-7,9-11,23H,2,8H2,1H3,(H,26,27)(H,25,28,29)
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n/an/a 0.700n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 4297-302 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.029
BindingDB Entry DOI: 10.7270/Q20C4VGJ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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n/an/a 0.720n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro antagonist effect on estrogen receptor alpha transcriptional activation in MCF-7 cells against 10 pM 17-beta-estradiol


J Med Chem 44: 1654-7 (2001)


BindingDB Entry DOI: 10.7270/Q2F47NDX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50214115
PNG
(CHEMBL429478 | N-((5-(3-(5-methoxy-1H-benzo[d]imid...)
Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(OC)cc4[nH]3)c2c1
Show InChI InChI=1S/C22H21N7O/c1-3-23-9-13-6-14(11-24-10-13)15-7-17-20(28-29-21(17)25-12-15)22-26-18-5-4-16(30-2)8-19(18)27-22/h4-8,10-12,23H,3,9H2,1-2H3,(H,26,27)(H,25,28,29)
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n/an/a 0.800n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 4297-302 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.029
BindingDB Entry DOI: 10.7270/Q20C4VGJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50214108
PNG
(CHEMBL248712 | N-((5-(3-(5,6-difluoro-1H-benzo[d]i...)
Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4cc(F)c(F)cc4[nH]3)c2c1
Show InChI InChI=1S/C21H17F2N7/c1-2-24-7-11-3-12(9-25-8-11)13-4-14-19(29-30-20(14)26-10-13)21-27-17-5-15(22)16(23)6-18(17)28-21/h3-6,8-10,24H,2,7H2,1H3,(H,27,28)(H,26,29,30)
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n/an/a 1.10n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 4297-302 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.029
BindingDB Entry DOI: 10.7270/Q20C4VGJ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50099587
PNG
(2-(4-Hydroxy-phenyl)-3-methyl-1-[4-(2-piperidin-1-...)
Show SMILES Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C29H32N2O3/c1-21-27-19-25(33)11-14-28(27)31(29(21)23-7-9-24(32)10-8-23)20-22-5-12-26(13-6-22)34-18-17-30-15-3-2-4-16-30/h5-14,19,32-33H,2-4,15-18,20H2,1H3
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro antagonist effect on estrogen receptor alpha transcriptional activation in MCF-7 cells against 10 pM 17-beta-estradiol


J Med Chem 44: 1654-7 (2001)


BindingDB Entry DOI: 10.7270/Q2F47NDX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50338221
PNG
(1-(4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-...)
Show SMILES CO\N=C\c1c(N)ncnc1Oc1ccc(NC(=O)Nc2cccc(F)c2)c(Cl)c1
Show InChI InChI=1S/C19H16ClFN6O3/c1-29-25-9-14-17(22)23-10-24-18(14)30-13-5-6-16(15(20)8-13)27-19(28)26-12-4-2-3-11(21)7-12/h2-10H,1H3,(H2,22,23,24)(H2,26,27,28)/b25-9+
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n/an/a 1.70n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 21: 1815-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.053
BindingDB Entry DOI: 10.7270/Q2ZP46DK
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50214100
PNG
(CHEMBL249303 | N-ethyl-N-((2-(5-(isoquinolin-4-yl)...)
Show SMILES CCN(CC)Cc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
Show InChI InChI=1S/C27H25N7/c1-3-34(4-2)16-18-9-7-11-23-24(18)31-27(30-23)25-21-12-19(14-29-26(21)33-32-25)22-15-28-13-17-8-5-6-10-20(17)22/h5-15H,3-4,16H2,1-2H3,(H,30,31)(H,29,32,33)
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n/an/a 1.80n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 4297-302 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.029
BindingDB Entry DOI: 10.7270/Q20C4VGJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50141149
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3cccc(Br)c3)c(cnc2cn1)C#N
Show InChI InChI=1S/C21H19BrN6O/c1-28(2)8-4-7-20(29)27-19-10-17-18(13-25-19)24-12-14(11-23)21(17)26-16-6-3-5-15(22)9-16/h3-7,9-10,12-13H,8H2,1-2H3,(H,24,26)(H,25,27,29)/b7-4+
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n/an/a 1.90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1411-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.034
BindingDB Entry DOI: 10.7270/Q2G161DC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor


J Med Chem 46: 49-63 (2002)


Article DOI: 10.1021/jm020241c
BindingDB Entry DOI: 10.7270/Q2PV6M3H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50338214
PNG
(1-(4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-...)
Show SMILES CO\N=C\c1c(N)ncnc1Oc1ccc(NC(=O)Nc2nc(C)c(C)s2)c(Cl)c1
Show InChI InChI=1S/C18H18ClN7O3S/c1-9-10(2)30-18(24-9)26-17(27)25-14-5-4-11(6-13(14)19)29-16-12(7-23-28-3)15(20)21-8-22-16/h4-8H,1-3H3,(H2,20,21,22)(H2,24,25,26,27)/b23-7+
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Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 21: 1815-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.053
BindingDB Entry DOI: 10.7270/Q2ZP46DK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50338215
PNG
(1-(4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-...)
Show SMILES CO\N=C\c1c(N)ncnc1Oc1ccc(NC(=O)Nc2cc(C)on2)c(Cl)c1
Show InChI InChI=1S/C17H16ClN7O4/c1-9-5-14(25-29-9)24-17(26)23-13-4-3-10(6-12(13)18)28-16-11(7-22-27-2)15(19)20-8-21-16/h3-8H,1-2H3,(H2,19,20,21)(H2,23,24,25,26)/b22-7+
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n/an/a 2n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 21: 1815-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.053
BindingDB Entry DOI: 10.7270/Q2ZP46DK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a 2n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4582
PNG
(4-anilinoquinazoline deriv. 10o | N-{4-[(3-bromoph...)
Show SMILES OCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C18H13BrN4O2/c19-12-3-1-4-13(9-12)23-18-15-10-14(22-17(25)5-2-8-24)6-7-16(15)20-11-21-18/h1,3-4,6-7,9-11,24H,8H2,(H,22,25)(H,20,21,23)
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n/an/a 2n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50214107
PNG
((5-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)...)
Show SMILES CNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4cccc(COC)c4[nH]3)c2c1
Show InChI InChI=1S/C22H21N7O/c1-23-8-13-6-15(10-24-9-13)16-7-17-20(28-29-21(17)25-11-16)22-26-18-5-3-4-14(12-30-2)19(18)27-22/h3-7,9-11,23H,8,12H2,1-2H3,(H,26,27)(H,25,28,29)
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n/an/a 2.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 4297-302 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.029
BindingDB Entry DOI: 10.7270/Q20C4VGJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50338219
PNG
(1-(4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-...)
Show SMILES CO\N=C\c1c(N)ncnc1Oc1ccc(NC(=O)Nc2ccccc2OC)c(Cl)c1
Show InChI InChI=1S/C20H19ClN6O4/c1-29-17-6-4-3-5-16(17)27-20(28)26-15-8-7-12(9-14(15)21)31-19-13(10-25-30-2)18(22)23-11-24-19/h3-11H,1-2H3,(H2,22,23,24)(H2,26,27,28)/b25-10+
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n/an/a 2.5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 21: 1815-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.053
BindingDB Entry DOI: 10.7270/Q2ZP46DK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50338217
PNG
(1-(4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-...)
Show SMILES CO\N=C\c1c(N)ncnc1Oc1ccc(NC(=O)Nc2ccccc2Cl)c(Cl)c1
Show InChI InChI=1S/C19H16Cl2N6O3/c1-29-25-9-12-17(22)23-10-24-18(12)30-11-6-7-16(14(21)8-11)27-19(28)26-15-5-3-2-4-13(15)20/h2-10H,1H3,(H2,22,23,24)(H2,26,27,28)/b25-9+
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n/an/a 2.60n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 21: 1815-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.053
BindingDB Entry DOI: 10.7270/Q2ZP46DK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50338222
PNG
(1-(4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-...)
Show SMILES CO\N=C\c1c(N)ncnc1Oc1ccc(NC(=O)Nc2ccc(F)cc2)c(Cl)c1
Show InChI InChI=1S/C19H16ClFN6O3/c1-29-25-9-14-17(22)23-10-24-18(14)30-13-6-7-16(15(20)8-13)27-19(28)26-12-4-2-11(21)3-5-12/h2-10H,1H3,(H2,22,23,24)(H2,26,27,28)/b25-9+
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Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 21: 1815-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.053
BindingDB Entry DOI: 10.7270/Q2ZP46DK
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50214099
PNG
(CHEMBL400569 | N-((5-(3-(5-(4-methylpiperazin-1-yl...)
Show SMILES CCNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C26H29N9/c1-3-27-13-17-10-18(15-28-14-17)19-11-21-24(32-33-25(21)29-16-19)26-30-22-5-4-20(12-23(22)31-26)35-8-6-34(2)7-9-35/h4-5,10-12,14-16,27H,3,6-9,13H2,1-2H3,(H,30,31)(H,29,32,33)
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n/an/a 3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 4297-302 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.029
BindingDB Entry DOI: 10.7270/Q20C4VGJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50338223
PNG
(1-(4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-...)
Show SMILES CO\N=C\c1c(N)ncnc1Oc1ccc(NC(=O)Nc2ccc(F)cc2F)c(Cl)c1
Show InChI InChI=1S/C19H15ClF2N6O3/c1-30-26-8-12-17(23)24-9-25-18(12)31-11-3-5-15(13(20)7-11)27-19(29)28-16-4-2-10(21)6-14(16)22/h2-9H,1H3,(H2,23,24,25)(H2,27,28,29)/b26-8+
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n/an/a 3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 21: 1815-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.053
BindingDB Entry DOI: 10.7270/Q2ZP46DK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50338216
PNG
(1-(4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-...)
Show SMILES CO\N=C\c1c(N)ncnc1Oc1ccc(NC(=O)Nc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C19H17ClN6O3/c1-28-24-10-14-17(21)22-11-23-18(14)29-13-7-8-16(15(20)9-13)26-19(27)25-12-5-3-2-4-6-12/h2-11H,1H3,(H2,21,22,23)(H2,25,26,27)/b24-10+
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n/an/a 3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 21: 1815-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.053
BindingDB Entry DOI: 10.7270/Q2ZP46DK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20625
PNG
(4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...)
Show SMILES CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
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n/an/a 3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor alpha


J Med Chem 44: 1654-7 (2001)


BindingDB Entry DOI: 10.7270/Q2F47NDX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50338220
PNG
(1-(4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-...)
Show SMILES CO\N=C\c1c(N)ncnc1Oc1ccc(NC(=O)Nc2ccccc2F)c(Cl)c1
Show InChI InChI=1S/C19H16ClFN6O3/c1-29-25-9-12-17(22)23-10-24-18(12)30-11-6-7-15(13(20)8-11)26-19(28)27-16-5-3-2-4-14(16)21/h2-10H,1H3,(H2,22,23,24)(H2,26,27,28)/b25-9+
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n/an/a 3.30n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 21: 1815-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.053
BindingDB Entry DOI: 10.7270/Q2ZP46DK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50338213
PNG
(1-(4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-...)
Show SMILES CO\N=C\c1c(N)ncnc1Oc1ccc(NC(=O)Nc2nccs2)c(Cl)c1
Show InChI InChI=1S/C16H14ClN7O3S/c1-26-22-7-10-13(18)20-8-21-14(10)27-9-2-3-12(11(17)6-9)23-15(25)24-16-19-4-5-28-16/h2-8H,1H3,(H2,18,20,21)(H2,19,23,24,25)/b22-7+
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n/an/a 3.40n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 21: 1815-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.053
BindingDB Entry DOI: 10.7270/Q2ZP46DK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50099585
PNG
(1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyph...)
Show SMILES Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3
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n/an/a 3.70n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro antagonist effect on estrogen receptor alpha transcriptional activation in MCF-7 cells against 10 pM 17-beta-estradiol


J Med Chem 44: 1654-7 (2001)


BindingDB Entry DOI: 10.7270/Q2F47NDX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM20625
PNG
(4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...)
Show SMILES CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
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n/an/a 4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against [3H]-17-beta-estradiol binding to human estrogen receptor 2


J Med Chem 44: 1654-7 (2001)


BindingDB Entry DOI: 10.7270/Q2F47NDX
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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n/an/a 4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor alpha


J Med Chem 44: 1654-7 (2001)


BindingDB Entry DOI: 10.7270/Q2F47NDX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50377274
PNG
(CHEMBL402294)
Show SMILES CCO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C21H20FN7O/c1-2-30-27-11-18-20(23)24-13-25-21(18)28-17-6-7-19-15(9-17)10-26-29(19)12-14-4-3-5-16(22)8-14/h3-11,13H,2,12H2,1H3,(H3,23,24,25,28)/b27-11+
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n/an/a 5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50214111
PNG
(4-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-...)
Show SMILES COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12
Show InChI InChI=1S/C24H18N6O/c1-31-13-15-6-4-8-20-21(15)28-24(27-20)22-18-9-16(11-26-23(18)30-29-22)19-12-25-10-14-5-2-3-7-17(14)19/h2-12H,13H2,1H3,(H,27,28)(H,26,29,30)
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n/an/a 5.60n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 4297-302 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.029
BindingDB Entry DOI: 10.7270/Q20C4VGJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50377285
PNG
(CHEMBL255237)
Show SMILES COCCO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C22H22FN7O2/c1-31-7-8-32-28-12-19-21(24)25-14-26-22(19)29-18-5-6-20-16(10-18)11-27-30(20)13-15-3-2-4-17(23)9-15/h2-6,9-12,14H,7-8,13H2,1H3,(H3,24,25,26,29)/b28-12+
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n/an/a 6n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4568
PNG
(4-anilinoquinazoline deriv. 10a | N-{4-[(3-bromoph...)
Show SMILES CN(C)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H18BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3,5-6,8-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)
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n/an/a 6n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50338225
PNG
(1-(4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-...)
Show SMILES CO\N=C\c1c(N)ncnc1Oc1ccc(NC(=O)NC2CCCCC2)c(Cl)c1
Show InChI InChI=1S/C19H23ClN6O3/c1-28-24-10-14-17(21)22-11-23-18(14)29-13-7-8-16(15(20)9-13)26-19(27)25-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H2,21,22,23)(H2,25,26,27)/b24-10+
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n/an/a 6.5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 21: 1815-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.053
BindingDB Entry DOI: 10.7270/Q2ZP46DK
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50377274
PNG
(CHEMBL402294)
Show SMILES CCO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C21H20FN7O/c1-2-30-27-11-18-20(23)24-13-25-21(18)28-17-6-7-19-15(9-17)10-26-29(19)12-14-4-3-5-16(22)8-14/h3-11,13H,2,12H2,1H3,(H3,23,24,25,28)/b27-11+
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n/an/a 7n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50214119
PNG
(CHEMBL400568 | N-((5-(3-(4-(methoxymethyl)-1H-benz...)
Show SMILES CCCNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4cccc(COC)c4[nH]3)c2c1
Show InChI InChI=1S/C24H25N7O/c1-3-7-25-10-15-8-17(12-26-11-15)18-9-19-22(30-31-23(19)27-13-18)24-28-20-6-4-5-16(14-32-2)21(20)29-24/h4-6,8-9,11-13,25H,3,7,10,14H2,1-2H3,(H,28,29)(H,27,30,31)
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n/an/a 7.40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 4297-302 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.029
BindingDB Entry DOI: 10.7270/Q20C4VGJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50338218
PNG
(1-(4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-...)
Show SMILES CO\N=C\c1c(N)ncnc1Oc1ccc(NC(=O)Nc2ccccc2C)c(Cl)c1
Show InChI InChI=1S/C20H19ClN6O3/c1-12-5-3-4-6-16(12)26-20(28)27-17-8-7-13(9-15(17)21)30-19-14(10-25-29-2)18(22)23-11-24-19/h3-11H,1-2H3,(H2,22,23,24)(H2,26,27,28)/b25-10+
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n/an/a 7.90n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 21: 1815-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.053
BindingDB Entry DOI: 10.7270/Q2ZP46DK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4566
PNG
(4-anilinoquinazoline deriv. 1 | CHEMBL91867 | N-{4...)
Show SMILES CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C18H13BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h3,5-11H,1H3,(H,22,24)(H,20,21,23)
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n/an/a 8n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50240214
PNG
(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-6-amin...)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C20H18FN7O/c1-29-26-10-17-19(22)23-12-24-20(17)27-16-5-6-18-14(8-16)9-25-28(18)11-13-3-2-4-15(21)7-13/h2-10,12H,11H2,1H3,(H3,22,23,24,27)/b26-10+
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n/an/a 8n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50214110
PNG
(4-(3-(5-morpholino-1H-benzo[d]imidazol-2-yl)-1H-py...)
Show SMILES C1CN(CCO1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
Show InChI InChI=1S/C26H21N7O/c1-2-4-19-16(3-1)13-27-15-21(19)17-11-20-24(31-32-25(20)28-14-17)26-29-22-6-5-18(12-23(22)30-26)33-7-9-34-10-8-33/h1-6,11-15H,7-10H2,(H,29,30)(H,28,31,32)
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n/an/a 8.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 4297-302 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.029
BindingDB Entry DOI: 10.7270/Q20C4VGJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50141149
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3cccc(Br)c3)c(cnc2cn1)C#N
Show InChI InChI=1S/C21H19BrN6O/c1-28(2)8-4-7-20(29)27-19-10-17-18(13-25-19)24-12-14(11-23)21(17)26-16-6-3-5-15(22)9-16/h3-7,9-10,12-13H,8H2,1-2H3,(H,24,26)(H,25,27,29)/b7-4+
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n/an/a 8.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of peptide substrate phosphorylation by epidermal growth factor receptor


Bioorg Med Chem Lett 14: 1411-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.034
BindingDB Entry DOI: 10.7270/Q2G161DC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50214117
PNG
(CHEMBL400906 | N-methyl(5-(3-(5-(trifluoromethoxy)...)
Show SMILES CNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2c1
Show InChI InChI=1S/C21H16F3N7O/c1-25-7-11-4-12(9-26-8-11)13-5-15-18(30-31-19(15)27-10-13)20-28-16-3-2-14(6-17(16)29-20)32-21(22,23)24/h2-6,8-10,25H,7H2,1H3,(H,28,29)(H,27,30,31)
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n/an/a 9n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 4297-302 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.029
BindingDB Entry DOI: 10.7270/Q20C4VGJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4579
PNG
(4-anilinoquinazoline deriv. 10l | N-{4-[(3-bromoph...)
Show SMILES COCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C19H15BrN4O2/c1-26-9-3-6-18(25)23-15-7-8-17-16(11-15)19(22-12-21-17)24-14-5-2-4-13(20)10-14/h2,4-5,7-8,10-12H,9H2,1H3,(H,23,25)(H,21,22,24)
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n/an/a 9n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50122562
PNG
(CHEMBL281300 | N-[4-(3-Bromo-phenylamino)-3-cyano-...)
Show SMILES Brc1cccc(Nc2c(cnc3ccc(NC(=O)C=C)cc23)C#N)c1
Show InChI InChI=1S/C19H13BrN4O/c1-2-18(25)23-15-6-7-17-16(9-15)19(12(10-21)11-22-17)24-14-5-3-4-13(20)8-14/h2-9,11H,1H2,(H,22,24)(H,23,25)
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n/an/a 9.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor kinase autophosphorylation


Bioorg Med Chem Lett 14: 1411-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.034
BindingDB Entry DOI: 10.7270/Q2G161DC
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50338224
PNG
(1-(4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-...)
Show SMILES CO\N=C\c1c(N)ncnc1Oc1ccc(NC(=O)NCc2ccc(F)cc2F)c(Cl)c1
Show InChI InChI=1S/C20H17ClF2N6O3/c1-31-28-9-14-18(24)26-10-27-19(14)32-13-4-5-17(15(21)7-13)29-20(30)25-8-11-2-3-12(22)6-16(11)23/h2-7,9-10H,8H2,1H3,(H2,24,26,27)(H2,25,29,30)/b28-9+
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n/an/a 10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 21: 1815-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.053
BindingDB Entry DOI: 10.7270/Q2ZP46DK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50338211
PNG
(1-(4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-...)
Show SMILES CO\N=C\c1c(N)ncnc1Oc1ccc(NC(=O)Nc2cccnc2)c(Cl)c1
Show InChI InChI=1S/C18H16ClN7O3/c1-28-24-9-13-16(20)22-10-23-17(13)29-12-4-5-15(14(19)7-12)26-18(27)25-11-3-2-6-21-8-11/h2-10H,1H3,(H2,20,22,23)(H2,25,26,27)/b24-9+
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n/an/a 10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 21: 1815-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.053
BindingDB Entry DOI: 10.7270/Q2ZP46DK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50338201
PNG
(1-(4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-...)
Show SMILES CCNC(=O)Nc1ccc(Oc2ncnc(N)c2\C=N\OC)cc1Cl
Show InChI InChI=1S/C15H17ClN6O3/c1-3-18-15(23)22-12-5-4-9(6-11(12)16)25-14-10(7-21-24-2)13(17)19-8-20-14/h4-8H,3H2,1-2H3,(H2,17,19,20)(H2,18,22,23)/b21-7+
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n/an/a 11n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 21: 1815-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.053
BindingDB Entry DOI: 10.7270/Q2ZP46DK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50338212
PNG
(1-(4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-...)
Show SMILES CO\N=C\c1c(N)ncnc1Oc1ccc(NC(=O)Nc2ccncc2)c(Cl)c1
Show InChI InChI=1S/C18H16ClN7O3/c1-28-24-9-13-16(20)22-10-23-17(13)29-12-2-3-15(14(19)8-12)26-18(27)25-11-4-6-21-7-5-11/h2-10H,1H3,(H2,20,22,23)(H2,21,25,26,27)/b24-9+
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n/an/a 11n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 21: 1815-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.053
BindingDB Entry DOI: 10.7270/Q2ZP46DK
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM12340
PNG
(3-{[(E)-({4-amino-6-[(4-fluoro-2-methyl-1H-indol-5...)
Show SMILES Cc1cc2c(F)c(Oc3ncnc(N)c3\C=N\OCCCO)ccc2[nH]1
Show InChI InChI=1S/C17H18FN5O3/c1-10-7-11-13(23-10)3-4-14(15(11)18)26-17-12(16(19)20-9-21-17)8-22-25-6-2-5-24/h3-4,7-9,23-24H,2,5-6H2,1H3,(H2,19,20,21)/b22-8+
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n/an/a 11n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


Bioorg Med Chem Lett 16: 6063-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.107
BindingDB Entry DOI: 10.7270/Q28P5XRX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4583
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
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n/an/a 11n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4583
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
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n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor


J Med Chem 46: 49-63 (2002)


Article DOI: 10.1021/jm020241c
BindingDB Entry DOI: 10.7270/Q2PV6M3H
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50240214
PNG
(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-6-amin...)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C20H18FN7O/c1-29-26-10-17-19(22)23-12-24-20(17)27-16-5-6-18-14(8-16)9-25-28(18)11-13-3-2-4-15(21)7-13/h2-10,12H,11H2,1H3,(H3,22,23,24,27)/b26-10+
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n/an/a 12n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4569
PNG
(4-anilinoquinazoline deriv. 10b | N-{4-[(3-bromoph...)
Show SMILES CCN(CC)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C22H22BrN5O/c1-3-28(4-2)12-6-9-21(29)26-18-10-11-20-19(14-18)22(25-15-24-20)27-17-8-5-7-16(23)13-17/h5,7-8,10-11,13-15H,3-4,12H2,1-2H3,(H,26,29)(H,24,25,27)
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n/an/a 12n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
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