BDBM50161952 4-Diisopropylamino-but-2-enoic acid [4-(4-benzyloxy-3-chloro-phenylamino)-3-cyano-7-ethoxy-quinolin-6-yl]-amide::CHEMBL179052

SMILES: CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C(C)C)C(C)C

InChI Key: InChIKey=YJDWLSMDQCVYOQ-JLHYYAGUSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50161952   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	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 UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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
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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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