Found 568 hits with Last Name = 'greenberger' and Initial = 'lm' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50214095
(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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
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MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50214115
(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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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antibodypedia
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PC cid
PC sid
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| PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50338221
(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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/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
((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+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50141149
((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+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4567
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)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) | PDB
MMDB
KEGG
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| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50338214
(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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50338215
(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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)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) | PDB
MMDB
KEGG
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CHEMBL
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PC cid
PC sid
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Similars
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4582
(4-anilinoquinazoline deriv. 10o | N-{4-[(3-bromoph...)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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50214107
((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) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50214099
(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) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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
(4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...)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+ | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50338220
(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+ | PDB
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| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
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| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM20625
(4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...)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+ | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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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 Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50377274
(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+ | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50338225
(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+ | PDB
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| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
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| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50240214
(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+ | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4566
(4-anilinoquinazoline deriv. 1 | CHEMBL91867 | N-{4...)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) | PDB
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PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50214110
(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) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/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
(4-anilinoquinazoline deriv. 10l | N-{4-[(3-bromoph...)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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50214117
(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) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50338224
(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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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
(1-(4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-...)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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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
(Rattus norvegicus (rat)) | BDBM12340
(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+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | 8.0 | 30 |
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
((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+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4583
((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+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50377276
(CHEMBL256297)Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C19H17ClFN5O2/c1-27-25-9-15-18(22)23-11-24-19(15)26-14-5-6-17(16(20)8-14)28-10-12-3-2-4-13(21)7-12/h2-9,11H,10H2,1H3,(H3,22,23,24,26)/b25-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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