Found 25 hits of Enzyme Inhibition Constant Data 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 |
|---|
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50271271
((R)-N-(3-chloro-4-(pyrazin-2-ylmethoxy)phenyl)-5-(...)Show SMILES C[C@H](CN(C)C)Oc1cccc2ncnc(Nc3ccc(OCc4cnccn4)c(Cl)c3)c12 |r| Show InChI InChI=1S/C24H25ClN6O2/c1-16(13-31(2)3)33-22-6-4-5-20-23(22)24(29-15-28-20)30-17-7-8-21(19(25)11-17)32-14-18-12-26-9-10-27-18/h4-12,15-16H,13-14H2,1-3H3,(H,28,29,30)/t16-/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50271272
(CHEMBL490062 | N-(1-benzyl-1H-indazol-5-yl)-6-(5-(...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1 Show InChI InChI=1S/C30H28N6O3S/c1-40(37,38)14-13-31-18-25-9-12-29(39-25)22-7-10-27-26(16-22)30(33-20-32-27)35-24-8-11-28-23(15-24)17-34-36(28)19-21-5-3-2-4-6-21/h2-12,15-17,20,31H,13-14,18-19H2,1H3,(H,32,33,35) | PDB
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50270524
(2-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)...)Show SMILES CC(C)(Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(N)=O Show InChI InChI=1S/C24H22ClN5O3/c1-24(2,23(26)31)33-20-8-5-7-18-21(20)22(29-14-28-18)30-15-9-10-19(17(25)12-15)32-13-16-6-3-4-11-27-16/h3-12,14H,13H2,1-2H3,(H2,26,31)(H,28,29,30) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50270525
((5-(4-(4-(benzyloxy)phenylamino)pyrido[3,4-d]pyrim...)Show SMILES OCc1ccc(o1)-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1 Show InChI InChI=1S/C25H20N4O3/c30-14-20-10-11-24(32-20)22-12-21-23(13-26-22)27-16-28-25(21)29-18-6-8-19(9-7-18)31-15-17-4-2-1-3-5-17/h1-13,16,30H,14-15H2,(H,27,28,29) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161879
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(3...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(Cl)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C31H29Cl2N5O3/c1-4-40-29-16-26-24(15-27(29)37-30(39)9-6-12-38(2)3)31(21(17-34)18-35-26)36-23-10-11-28(25(33)14-23)41-19-20-7-5-8-22(32)13-20/h5-11,13-16,18H,4,12,19H2,1-3H3,(H,35,36)(H,37,39)/b9-6+ | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50271239
(((1S,5R,6s)-3-((4-(4-(3-methoxy-4-phenoxyphenylami...)Show SMILES COc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CN3C[C@H]4[C@@H](CO)[C@H]4C3)cc2)ccc1Oc1ccccc1 |r| Show InChI InChI=1S/C34H32N4O3/c1-40-33-16-25(12-14-32(33)41-26-5-3-2-4-6-26)37-34-27-15-24(11-13-31(27)35-21-36-34)23-9-7-22(8-10-23)17-38-18-28-29(19-38)30(28)20-39/h2-16,21,28-30,39H,17-20H2,1H3,(H,35,36,37)/t28-,29+,30- | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM4581
(4-anilinoquinazoline deriv. 10n | CHEMBL93049 | N-...)Show SMILES COCOCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C20H17BrN4O3/c1-27-13-28-9-3-6-19(26)24-16-7-8-18-17(11-16)20(23-12-22-18)25-15-5-2-4-14(21)10-15/h2,4-5,7-8,10-12H,9,13H2,1H3,(H,24,26)(H,22,23,25) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM5444
(6-Thiazolylquinazoline 6 | CHEMBL453376 | N-{3-chl...)Show SMILES CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C28H25ClFN5O3S2/c1-40(36,37)10-9-31-14-27-35-25(16-39-27)19-5-7-24-22(12-19)28(33-17-32-24)34-21-6-8-26(23(29)13-21)38-15-18-3-2-4-20(30)11-18/h2-8,11-13,16-17,31H,9-10,14-15H2,1H3,(H,32,33,34) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM31340
(2-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin...)Show SMILES COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1 Show InChI InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+ | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50270583
(CHEMBL488350 | methyl 2-((5-(4-(4-(benzyloxy)pheny...)Show SMILES COC(=O)CNCc1ccc(o1)-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1 Show InChI InChI=1S/C28H25N5O4/c1-35-27(34)16-29-14-22-11-12-26(37-22)24-13-23-25(15-30-24)31-18-32-28(23)33-20-7-9-21(10-8-20)36-17-19-5-3-2-4-6-19/h2-13,15,18,29H,14,16-17H2,1H3,(H,31,32,33) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161956
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(4...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(Sc4nc(cs4)-c4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C33H29ClN6O2S2/c1-4-42-29-17-26-24(16-27(29)38-31(41)11-8-14-40(2)3)32(22(18-35)19-36-26)37-23-12-13-30(25(34)15-23)44-33-39-28(20-43-33)21-9-6-5-7-10-21/h5-13,15-17,19-20H,4,14H2,1-3H3,(H,36,37)(H,38,41)/b11-8+ | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50270523
(2-((5-(4-(4-(benzyloxy)phenylamino)pyrido[3,4-d]py...)Show SMILES OC(=O)CNCc1ccc(o1)-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1 Show InChI InChI=1S/C27H23N5O4/c33-26(34)15-28-13-21-10-11-25(36-21)23-12-22-24(14-29-23)30-17-31-27(22)32-19-6-8-20(9-7-19)35-16-18-4-2-1-3-5-18/h1-12,14,17,28H,13,15-16H2,(H,33,34)(H,30,31,32) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50270646
(4-(1-(3-(1H-pyrrol-1-yl)thiophene-2-carbonyl)-5-am...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1sccc1-n1cccc1 Show InChI InChI=1S/C17H15N7O3S2/c18-16-21-17(20-11-3-5-12(6-4-11)29(19,26)27)22-24(16)15(25)14-13(7-10-28-14)23-8-1-2-9-23/h1-10H,(H2,19,26,27)(H3,18,20,21,22) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50270647
(CHEMBL521284 | N-(4-phenoxyphenyl)quinolin-4-amine)Show InChI InChI=1S/C21H16N2O/c1-2-6-17(7-3-1)24-18-12-10-16(11-13-18)23-21-14-15-22-20-9-5-4-8-19(20)21/h1-15H,(H,22,23) | PDB
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PubMed
| n/a | n/a | 733 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161899
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(5...)Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Sc4ncc(s4)-c4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C32H27ClN6O2S2/c1-39(2)13-7-10-30(40)38-26-15-23-25(16-27(26)41-3)35-18-21(17-34)31(23)37-22-11-12-28(24(33)14-22)42-32-36-19-29(43-32)20-8-5-4-6-9-20/h4-12,14-16,18-19H,13H2,1-3H3,(H,35,37)(H,38,40)/b10-7+ | PDB
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PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50270648
(5-chloro-2-(4-(6,7-dimethoxyquinolin-4-ylamino)-2-...)Show SMILES COc1cc2nccc(Nc3ccc(N4C(=O)c5ccc(Cl)cc5C4=O)c(C)c3)c2cc1OC Show InChI InChI=1S/C26H20ClN3O4/c1-14-10-16(29-20-8-9-28-21-13-24(34-3)23(33-2)12-19(20)21)5-7-22(14)30-25(31)17-6-4-15(27)11-18(17)26(30)32/h4-13H,1-3H3,(H,28,29) | PDB
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PC sid
UniChem
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PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50270677
(3-(methylsulfonyl)propyl 4-(2-fluoro-5-(methoxycar...)Show SMILES CONC(=O)c1ccc(F)c(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c1 Show InChI InChI=1S/C22H27FN6O6S/c1-13(2)18-17(27-22(31)35-8-5-9-36(4,32)33)11-29-19(18)20(24-12-25-29)26-16-10-14(6-7-15(16)23)21(30)28-34-3/h6-7,10-13H,5,8-9H2,1-4H3,(H,27,31)(H,28,30)(H,24,25,26) | PDB
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PC cid
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Similars
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PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50122561
((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...)Show SMILES COc1cc(NC(=O)\C=C\CN(C)C)cc2c(Nc3cccc(Br)c3)c(cnc12)C#N Show InChI InChI=1S/C23H22BrN5O2/c1-29(2)9-5-8-21(30)27-18-11-19-22(28-17-7-4-6-16(24)10-17)15(13-25)14-26-23(19)20(12-18)31-3/h4-8,10-12,14H,9H2,1-3H3,(H,26,28)(H,27,30)/b8-5+ | PDB
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50270678
(2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-(trifluoromet...)Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc(c2)C(F)(F)F)cc1O Show InChI InChI=1S/C17H11F3N2O3/c18-17(19,20)12-2-1-3-13(8-12)22-16(25)11(9-21)6-10-4-5-14(23)15(24)7-10/h1-8,23-24H,(H,22,25)/b11-6+ | PDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50240590
(2-(bromomethyl)-6,7-dimethyl-3-phenylquinoxaline |...)Show InChI InChI=1S/C17H15BrN2/c1-11-8-14-15(9-12(11)2)20-17(16(10-18)19-14)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM4299
((2E)-3-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylcarbo...)Show InChI InChI=1S/C14H9NO3S/c15-8-10(14(18)13-2-1-5-19-13)6-9-3-4-11(16)12(17)7-9/h1-7,16-17H/b10-6+ | PDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50065275
(3-(3,5-di-tert-butyl-4-hydroxybenzylidene)indolin-...)Show SMILES CC(C)(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(c1O)C(C)(C)C Show InChI InChI=1S/C23H27NO2/c1-22(2,3)17-12-14(13-18(20(17)25)23(4,5)6)11-16-15-9-7-8-10-19(15)24-21(16)26/h7-13,25H,1-6H3,(H,24,26)/b16-11- | PDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50165314
(8-(2,5-Dichloro-phenylsulfanyl)-9H-purin-6-ylamine...)Show InChI InChI=1S/C11H7Cl2N5S/c12-5-1-2-6(13)7(3-5)19-11-17-8-9(14)15-4-16-10(8)18-11/h1-4H,(H3,14,15,16,17,18) | PDB
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DrugBank
antibodypedia
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| CHEMBL
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PubMed
| n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50165304
(9-Butyl-8-(3,4,5-trimethoxy-benzenesulfonyl)-9H-pu...)Show SMILES CCCCn1c(nc2c(N)ncnc12)S(=O)(=O)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C18H23N5O5S/c1-5-6-7-23-17-14(16(19)20-10-21-17)22-18(23)29(24,25)11-8-12(26-2)15(28-4)13(9-11)27-3/h8-10H,5-7H2,1-4H3,(H2,19,20,21) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
J Med Chem 51: 3367-77 (2008)
Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532 |
More data for this
Ligand-Target Pair | |
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