Found 164 hits Enz. Inhib. hit(s) with all data for entry = 50037541 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 |
|---|
Epidermal growth factor receptor
(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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
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
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161948
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(n...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc5ccccc45)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C35H32ClN5O3/c1-4-43-33-19-30-28(18-31(33)40-34(42)13-8-16-41(2)3)35(25(20-37)21-38-30)39-26-14-15-32(29(36)17-26)44-22-24-11-7-10-23-9-5-6-12-27(23)24/h5-15,17-19,21H,4,16,22H2,1-3H3,(H,38,39)(H,40,42)/b13-8+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161903
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(2...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4Cl)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C31H29Cl2N5O3/c1-4-40-29-16-26-23(15-27(29)37-30(39)10-7-13-38(2)3)31(21(17-34)18-35-26)36-22-11-12-28(25(33)14-22)41-19-20-8-5-6-9-24(20)32/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,35,36)(H,37,39)/b10-7+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161903
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(2...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4Cl)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C31H29Cl2N5O3/c1-4-40-29-16-26-23(15-27(29)37-30(39)10-7-13-38(2)3)31(21(17-34)18-35-26)36-22-11-12-28(25(33)14-22)41-19-20-8-5-6-9-24(20)32/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,35,36)(H,37,39)/b10-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
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 human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
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
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161883
(4-Dimethylamino-but-2-enoic acid [4-(1-benzyl-1H-i...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc4n(Cc5ccccc5)ccc4c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C33H32N6O2/c1-4-41-31-19-28-27(18-29(31)37-32(40)11-8-15-38(2)3)33(25(20-34)21-35-28)36-26-12-13-30-24(17-26)14-16-39(30)22-23-9-6-5-7-10-23/h5-14,16-19,21H,4,15,22H2,1-3H3,(H,35,36)(H,37,40)/b11-8+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161911
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(n...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc5ccccc5c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C35H32ClN5O3/c1-4-43-33-19-30-28(18-31(33)40-34(42)10-7-15-41(2)3)35(26(20-37)21-38-30)39-27-13-14-32(29(36)17-27)44-22-23-11-12-24-8-5-6-9-25(24)16-23/h5-14,16-19,21H,4,15,22H2,1-3H3,(H,38,39)(H,40,42)/b10-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161926
(4-Thiomorpholin-4-yl-but-2-enoic acid [4-(4-benzyl...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCSCC1 Show InChI InChI=1S/C33H32ClN5O3S/c1-2-41-31-19-28-26(18-29(31)38-32(40)9-6-12-39-13-15-43-16-14-39)33(24(20-35)21-36-28)37-25-10-11-30(27(34)17-25)42-22-23-7-4-3-5-8-23/h3-11,17-19,21H,2,12-16,22H2,1H3,(H,36,37)(H,38,40)/b9-6+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161911
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(n...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc5ccccc5c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C35H32ClN5O3/c1-4-43-33-19-30-28(18-31(33)40-34(42)10-7-15-41(2)3)35(26(20-37)21-38-30)39-27-13-14-32(29(36)17-27)44-22-23-11-12-24-8-5-6-9-25(24)16-23/h5-14,16-19,21H,4,15,22H2,1-3H3,(H,38,39)(H,40,42)/b10-7+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161907
(4-Morpholin-4-yl-but-2-enoic acid [4-(4-benzyloxy-...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCOCC1 Show InChI InChI=1S/C33H32ClN5O4/c1-2-42-31-19-28-26(18-29(31)38-32(40)9-6-12-39-13-15-41-16-14-39)33(24(20-35)21-36-28)37-25-10-11-30(27(34)17-25)43-22-23-7-4-3-5-8-23/h3-11,17-19,21H,2,12-16,22H2,1H3,(H,36,37)(H,38,40)/b9-6+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161948
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(n...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc5ccccc45)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C35H32ClN5O3/c1-4-43-33-19-30-28(18-31(33)40-34(42)13-8-16-41(2)3)35(25(20-37)21-38-30)39-26-14-15-32(29(36)17-26)44-22-24-11-7-10-23-9-5-6-12-27(23)24/h5-15,17-19,21H,4,16,22H2,1-3H3,(H,38,39)(H,40,42)/b13-8+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161955
(4-[(2-Hydroxy-ethyl)-methyl-amino]-but-2-enoic aci...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)CCO Show InChI InChI=1S/C32H32ClN5O4/c1-3-41-30-18-27-25(17-28(30)37-31(40)10-7-13-38(2)14-15-39)32(23(19-34)20-35-27)36-24-11-12-29(26(33)16-24)42-21-22-8-5-4-6-9-22/h4-12,16-18,20,39H,3,13-15,21H2,1-2H3,(H,35,36)(H,37,40)/b10-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161880
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(f...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccco4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C29H28ClN5O4/c1-4-37-27-15-24-22(14-25(27)34-28(36)8-5-11-35(2)3)29(19(16-31)17-32-24)33-20-9-10-26(23(30)13-20)39-18-21-7-6-12-38-21/h5-10,12-15,17H,4,11,18H2,1-3H3,(H,32,33)(H,34,36)/b8-5+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161947
(4-(1H-Imidazol-4-yl)-but-2-enoic acid [4-(4-benzyl...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)C=CCc1cnc[nH]1 |w:35.39| Show InChI InChI=1S/C32H27ClN6O3/c1-2-41-30-15-27-25(14-28(30)39-31(40)10-6-9-24-18-35-20-37-24)32(22(16-34)17-36-27)38-23-11-12-29(26(33)13-23)42-19-21-7-4-3-5-8-21/h3-8,10-15,17-18,20H,2,9,19H2,1H3,(H,35,37)(H,36,38)(H,39,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161940
(4-Dimethylamino-but-2-enoic acid [4-(4-benzyloxy-3...)Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H28ClN5O3/c1-36(2)13-7-10-29(37)35-26-15-23-25(16-28(26)38-3)33-18-21(17-32)30(23)34-22-11-12-27(24(31)14-22)39-19-20-8-5-4-6-9-20/h4-12,14-16,18H,13,19H2,1-3H3,(H,33,34)(H,35,37)/b10-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161891
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(4...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc(Cl)cc4)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)6-5-13-38(2)3)31(21(17-34)18-35-26)36-23-11-12-28(25(33)14-23)41-19-20-7-9-22(32)10-8-20/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,35,36)(H,37,39)/b6-5+ | PDB
MMDB
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DrugBank
antibodypedia
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PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161938
(4-Piperidin-1-yl-but-2-enoic acid [4-(4-benzyloxy-...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C34H34ClN5O3/c1-2-42-32-20-29-27(19-30(32)39-33(41)12-9-17-40-15-7-4-8-16-40)34(25(21-36)22-37-29)38-26-13-14-31(28(35)18-26)43-23-24-10-5-3-6-11-24/h3,5-6,9-14,18-20,22H,2,4,7-8,15-17,23H2,1H3,(H,37,38)(H,39,41)/b12-9+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161946
(4-Dimethylamino-but-2-enoic acid [4-(1-benzenesulf...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc4n(ccc4c3)S(=O)(=O)c3ccccc3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C32H30N6O4S/c1-4-42-30-19-27-26(18-28(30)36-31(39)11-8-15-37(2)3)32(23(20-33)21-34-27)35-24-12-13-29-22(17-24)14-16-38(29)43(40,41)25-9-6-5-7-10-25/h5-14,16-19,21H,4,15H2,1-3H3,(H,34,35)(H,36,39)/b11-8+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161936
(4-Azetidin-1-yl-but-2-enoic acid [4-(4-benzyloxy-3...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC1 Show InChI InChI=1S/C32H30ClN5O3/c1-2-40-30-18-27-25(17-28(30)37-31(39)10-6-13-38-14-7-15-38)32(23(19-34)20-35-27)36-24-11-12-29(26(33)16-24)41-21-22-8-4-3-5-9-22/h3-6,8-12,16-18,20H,2,7,13-15,21H2,1H3,(H,35,36)(H,37,39)/b10-6+ | PDB
MMDB
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B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161955
(4-[(2-Hydroxy-ethyl)-methyl-amino]-but-2-enoic aci...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)CCO Show InChI InChI=1S/C32H32ClN5O4/c1-3-41-30-18-27-25(17-28(30)37-31(40)10-7-13-38(2)14-15-39)32(23(19-34)20-35-27)36-24-11-12-29(26(33)16-24)42-21-22-8-5-4-6-9-22/h4-12,16-18,20,39H,3,13-15,21H2,1-2H3,(H,35,36)(H,37,40)/b10-7+ | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161909
(4-Dimethylamino-but-2-enoic acid [4-(3-chloro-4-cy...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCC4CCCCC4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C31H36ClN5O3/c1-4-39-29-17-26-24(16-27(29)36-30(38)11-8-14-37(2)3)31(22(18-33)19-34-26)35-23-12-13-28(25(32)15-23)40-20-21-9-6-5-7-10-21/h8,11-13,15-17,19,21H,4-7,9-10,14,20H2,1-3H3,(H,34,35)(H,36,38)/b11-8+ | PDB
MMDB
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161952
(4-Diisopropylamino-but-2-enoic acid [4-(4-benzylox...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C(C)C)C(C)C Show InChI InChI=1S/C35H38ClN5O3/c1-6-43-33-19-30-28(18-31(33)40-34(42)13-10-16-41(23(2)3)24(4)5)35(26(20-37)21-38-30)39-27-14-15-32(29(36)17-27)44-22-25-11-8-7-9-12-25/h7-15,17-19,21,23-24H,6,16,22H2,1-5H3,(H,38,39)(H,40,42)/b13-10+ | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161926
(4-Thiomorpholin-4-yl-but-2-enoic acid [4-(4-benzyl...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCSCC1 Show InChI InChI=1S/C33H32ClN5O3S/c1-2-41-31-19-28-26(18-29(31)38-32(40)9-6-12-39-13-15-43-16-14-39)33(24(20-35)21-36-28)37-25-10-11-30(27(34)17-25)42-22-23-7-4-3-5-8-23/h3-11,17-19,21H,2,12-16,22H2,1H3,(H,36,37)(H,38,40)/b9-6+ | PDB
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161952
(4-Diisopropylamino-but-2-enoic acid [4-(4-benzylox...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C(C)C)C(C)C Show InChI InChI=1S/C35H38ClN5O3/c1-6-43-33-19-30-28(18-31(33)40-34(42)13-10-16-41(23(2)3)24(4)5)35(26(20-37)21-38-30)39-27-14-15-32(29(36)17-27)44-22-25-11-8-7-9-12-25/h7-15,17-19,21,23-24H,6,16,22H2,1-5H3,(H,38,39)(H,40,42)/b13-10+ | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161938
(4-Piperidin-1-yl-but-2-enoic acid [4-(4-benzyloxy-...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C34H34ClN5O3/c1-2-42-32-20-29-27(19-30(32)39-33(41)12-9-17-40-15-7-4-8-16-40)34(25(21-36)22-37-29)38-26-13-14-31(28(35)18-26)43-23-24-10-5-3-6-11-24/h3,5-6,9-14,18-20,22H,2,4,7-8,15-17,23H2,1H3,(H,37,38)(H,39,41)/b12-9+ | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161915
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(2...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4OC)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C32H32ClN5O4/c1-5-41-30-17-26-24(16-27(30)37-31(39)11-8-14-38(2)3)32(22(18-34)19-35-26)36-23-12-13-29(25(33)15-23)42-20-21-9-6-7-10-28(21)40-4/h6-13,15-17,19H,5,14,20H2,1-4H3,(H,35,36)(H,37,39)/b11-8+ | PDB
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PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161908
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(3...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C31H29ClFN5O3/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(32)14-23)41-19-20-7-5-8-22(33)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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MCE
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161954
(4-Dimethylamino-but-2-enoic acid (4-{3-chloro-4-[(...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(NCc4cccc5ccccc45)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C35H33ClN6O2/c1-4-44-33-19-31-28(18-32(33)41-34(43)13-8-16-42(2)3)35(25(20-37)22-39-31)40-26-14-15-30(29(36)17-26)38-21-24-11-7-10-23-9-5-6-12-27(23)24/h5-15,17-19,22,38H,4,16,21H2,1-3H3,(H,39,40)(H,41,43)/b13-8+ | PDB
MMDB
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161908
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(3...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C31H29ClFN5O3/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(32)14-23)41-19-20-7-5-8-22(33)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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PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161940
(4-Dimethylamino-but-2-enoic acid [4-(4-benzyloxy-3...)Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H28ClN5O3/c1-36(2)13-7-10-29(37)35-26-15-23-25(16-28(26)38-3)33-18-21(17-32)30(23)34-22-11-12-27(24(31)14-22)39-19-20-8-5-4-6-9-20/h4-12,14-16,18H,13,19H2,1-3H3,(H,33,34)(H,35,37)/b10-7+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161936
(4-Azetidin-1-yl-but-2-enoic acid [4-(4-benzyloxy-3...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC1 Show InChI InChI=1S/C32H30ClN5O3/c1-2-40-30-18-27-25(17-28(30)37-31(39)10-6-13-38-14-7-15-38)32(23(19-34)20-35-27)36-24-11-12-29(26(33)16-24)41-21-22-8-4-3-5-9-22/h3-6,8-12,16-18,20H,2,7,13-15,21H2,1H3,(H,35,36)(H,37,39)/b10-6+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161895
(2-{2-Chloro-4-[3-cyano-6-(4-dimethylamino-but-2-en...)Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C27H26ClN7O2S/c1-34(2)10-5-6-25(36)33-22-13-19-21(14-23(22)37-4)31-16-17(15-29)26(19)32-18-7-8-24(20(28)12-18)38-27-30-9-11-35(27)3/h5-9,11-14,16H,10H2,1-4H3,(H,31,32)(H,33,36)/b6-5+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161930
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(t...)Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Sc4nccs4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C26H23ClN6O2S2/c1-33(2)9-4-5-24(34)32-21-12-18-20(13-22(21)35-3)30-15-16(14-28)25(18)31-17-6-7-23(19(27)11-17)37-26-29-8-10-36-26/h4-8,10-13,15H,9H2,1-3H3,(H,30,31)(H,32,34)/b5-4+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161915
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(2...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4OC)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C32H32ClN5O4/c1-5-41-30-17-26-24(16-27(30)37-31(39)11-8-14-38(2)3)32(22(18-34)19-35-26)36-23-12-13-29(25(33)15-23)42-20-21-9-6-7-10-28(21)40-4/h6-13,15-17,19H,5,14,20H2,1-4H3,(H,35,36)(H,37,39)/b11-8+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161933
(CHEMBL179969 | Ethenesulfonic acid [4-(4-benzyloxy...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NS(=O)(=O)C=C Show InChI InChI=1S/C27H23ClN4O4S/c1-3-35-26-14-23-21(13-24(26)32-37(33,34)4-2)27(19(15-29)16-30-23)31-20-10-11-25(22(28)12-20)36-17-18-8-6-5-7-9-18/h4-14,16,32H,2-3,17H2,1H3,(H,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161916
(4-Dimethylamino-but-2-enoic acid [4-(4-benzylamino...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(NCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C31H31ClN6O2/c1-4-40-29-17-27-24(16-28(29)37-30(39)11-8-14-38(2)3)31(22(18-33)20-35-27)36-23-12-13-26(25(32)15-23)34-19-21-9-6-5-7-10-21/h5-13,15-17,20,34H,4,14,19H2,1-3H3,(H,35,36)(H,37,39)/b11-8+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161891
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(4...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc(Cl)cc4)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)6-5-13-38(2)3)31(21(17-34)18-35-26)36-23-11-12-28(25(33)14-23)41-19-20-7-9-22(32)10-8-20/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,35,36)(H,37,39)/b6-5+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161877
(4-Dimethylamino-but-2-enoic acid [4-(4-benzyloxy-3...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C31H30ClN5O3/c1-4-39-29-17-26-24(16-27(29)36-30(38)11-8-14-37(2)3)31(22(18-33)19-34-26)35-23-12-13-28(25(32)15-23)40-20-21-9-6-5-7-10-21/h5-13,15-17,19H,4,14,20H2,1-3H3,(H,34,35)(H,36,38)/b11-8+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161934
(4-(4,4-Dihydroxy-piperidin-1-yl)-but-2-enoic acid ...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC(O)(O)CC1 Show InChI InChI=1S/C34H34ClN5O5/c1-2-44-31-19-28-26(18-29(31)39-32(41)9-6-14-40-15-12-34(42,43)13-16-40)33(24(20-36)21-37-28)38-25-10-11-30(27(35)17-25)45-22-23-7-4-3-5-8-23/h3-11,17-19,21,42-43H,2,12-16,22H2,1H3,(H,37,38)(H,39,41)/b9-6+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161907
(4-Morpholin-4-yl-but-2-enoic acid [4-(4-benzyloxy-...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCOCC1 Show InChI InChI=1S/C33H32ClN5O4/c1-2-42-31-19-28-26(18-29(31)38-32(40)9-6-12-39-13-15-41-16-14-39)33(24(20-35)21-36-28)37-25-10-11-30(27(34)17-25)43-22-23-7-4-3-5-8-23/h3-11,17-19,21H,2,12-16,22H2,1H3,(H,36,37)(H,38,40)/b9-6+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161957
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161876
(4-Pyrrolidin-1-yl-but-2-enoic acid [4-(4-benzyloxy...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCC1 Show InChI InChI=1S/C33H32ClN5O3/c1-2-41-31-19-28-26(18-29(31)38-32(40)11-8-16-39-14-6-7-15-39)33(24(20-35)21-36-28)37-25-12-13-30(27(34)17-25)42-22-23-9-4-3-5-10-23/h3-5,8-13,17-19,21H,2,6-7,14-16,22H2,1H3,(H,36,37)(H,38,40)/b11-8+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161933
(CHEMBL179969 | Ethenesulfonic acid [4-(4-benzyloxy...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NS(=O)(=O)C=C Show InChI InChI=1S/C27H23ClN4O4S/c1-3-35-26-14-23-21(13-24(26)32-37(33,34)4-2)27(19(15-29)16-30-23)31-20-10-11-25(22(28)12-20)36-17-18-8-6-5-7-9-18/h4-14,16,32H,2-3,17H2,1H3,(H,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161880
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(f...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccco4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C29H28ClN5O4/c1-4-37-27-15-24-22(14-25(27)34-28(36)8-5-11-35(2)3)29(19(16-31)17-32-24)33-20-9-10-26(23(30)13-20)39-18-21-7-6-12-38-21/h5-10,12-15,17H,4,11,18H2,1-3H3,(H,32,33)(H,34,36)/b8-5+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161939
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(4...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc(F)cc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C31H29ClFN5O3/c1-4-40-29-16-26-24(15-27(29)37-30(39)6-5-13-38(2)3)31(21(17-34)18-35-26)36-23-11-12-28(25(32)14-23)41-19-20-7-9-22(33)10-8-20/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,35,36)(H,37,39)/b6-5+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161924
(4-Dimethylamino-but-2-enoic acid {4-[4-(benzothiaz...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4nc5ccccc5s4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C32H29ClN6O3S/c1-4-41-28-16-25-22(15-26(28)37-30(40)10-7-13-39(2)3)32(20(17-34)18-35-25)36-21-11-12-27(23(33)14-21)42-19-31-38-24-8-5-6-9-29(24)43-31/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,35,36)(H,37,40)/b10-7+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161888
(4-[(2-Methoxy-ethyl)-methyl-amino]-but-2-enoic aci...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)CCOC Show InChI InChI=1S/C33H34ClN5O4/c1-4-42-31-19-28-26(18-29(31)38-32(40)11-8-14-39(2)15-16-41-3)33(24(20-35)21-36-28)37-25-12-13-30(27(34)17-25)43-22-23-9-6-5-7-10-23/h5-13,17-19,21H,4,14-16,22H2,1-3H3,(H,36,37)(H,38,40)/b11-8+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161947
(4-(1H-Imidazol-4-yl)-but-2-enoic acid [4-(4-benzyl...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)C=CCc1cnc[nH]1 |w:35.39| Show InChI InChI=1S/C32H27ClN6O3/c1-2-41-30-15-27-25(14-28(30)39-31(40)10-6-9-24-18-35-20-37-24)32(22(16-34)17-36-27)38-23-11-12-29(26(33)13-23)42-19-21-7-4-3-5-8-21/h3-8,10-15,17-18,20H,2,9,19H2,1H3,(H,35,37)(H,36,38)(H,39,40) | PDB
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| CHEMBL
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| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation |
J Med Chem 48: 1107-31 (2005)
Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG |
More data for this
Ligand-Target Pair | |
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