Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50035422 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)) | BDBM50122562
(CHEMBL281300 | N-[4-(3-Bromo-phenylamino)-3-cyano-...)Show SMILES Brc1cccc(Nc2c(cnc3ccc(NC(=O)C=C)cc23)C#N)c1 Show InChI InChI=1S/C19H13BrN4O/c1-2-18(25)23-15-6-7-17-16(9-15)19(12(10-21)11-22-17)24-14-5-3-4-13(20)8-14/h2-9,11H,1H2,(H,22,24)(H,23,25) | 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 | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of epidermal growth factor receptor kinase autophosphorylation |
Bioorg Med Chem Lett 14: 1411-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.034 BindingDB Entry DOI: 10.7270/Q2G161DC |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM31090
((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of epidermal growth factor receptor kinase autophosphorylation |
Bioorg Med Chem Lett 14: 1411-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.034 BindingDB Entry DOI: 10.7270/Q2G161DC |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50141148
(CHEMBL281467 | N-[5-(3-Bromo-phenylamino)-6-cyano-...)Show SMILES Brc1cccc(Nc2c(cnc3ncc(NC(=O)C=C)cc23)C#N)c1 Show InChI InChI=1S/C18H12BrN5O/c1-2-16(25)23-14-7-15-17(24-13-5-3-4-12(19)6-13)11(8-20)9-21-18(15)22-10-14/h2-7,9-10H,1H2,(H,23,25)(H,21,22,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 976 | 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)) | BDBM50141145
(But-2-ynoic acid [4-(3-chloro-4-fluoro-phenylamino...)Show SMILES CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C20H12ClFN4O/c1-2-3-19(27)25-13-5-7-18-15(8-13)20(12(10-23)11-24-18)26-14-4-6-17(22)16(21)9-14/h4-9,11H,1H3,(H,24,26)(H,25,27) | 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 | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of epidermal growth factor receptor kinase autophosphorylation |
Bioorg Med Chem Lett 14: 1411-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.034 BindingDB Entry DOI: 10.7270/Q2G161DC |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50141147
((E)-4-Dimethylamino-but-2-enoic acid [5-(3-bromo-p...)Show SMILES CN(C)C\C=C\C(=O)Nc1cnc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C21H19BrN6O/c1-28(2)8-4-7-19(29)26-17-10-18-20(27-16-6-3-5-15(22)9-16)14(11-23)12-24-21(18)25-13-17/h3-7,9-10,12-13H,8H2,1-2H3,(H,26,29)(H,24,25,27)/b7-4+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.13E+3 | 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)) | BDBM50141152
(4-(3-Bromo-phenylamino)-6-(2-dimethylamino-ethoxy)...)Show InChI InChI=1S/C19H18BrN5O/c1-25(2)6-7-26-18-9-16-17(12-23-18)22-11-13(10-21)19(16)24-15-5-3-4-14(20)8-15/h3-5,8-9,11-12H,6-7H2,1-2H3,(H,22,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of epidermal growth factor receptor kinase autophosphorylation |
Bioorg Med Chem Lett 14: 1411-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.034 BindingDB Entry DOI: 10.7270/Q2G161DC |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50141150
(4-(3-Chloro-4-fluoro-phenylamino)-6-(2-dimethylami...)Show SMILES CN(C)CCOc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cn1)C#N Show InChI InChI=1S/C19H17ClFN5O/c1-26(2)5-6-27-18-8-14-17(11-24-18)23-10-12(9-22)19(14)25-13-3-4-16(21)15(20)7-13/h3-4,7-8,10-11H,5-6H2,1-2H3,(H,23,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of epidermal growth factor receptor kinase autophosphorylation |
Bioorg Med Chem Lett 14: 1411-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.034 BindingDB Entry DOI: 10.7270/Q2G161DC |
More data for this Ligand-Target Pair | |