BDBM50161876 4-Pyrrolidin-1-yl-but-2-enoic acid [4-(4-benzyloxy-3-chloro-phenylamino)-3-cyano-7-ethoxy-quinolin-6-yl]-amide::CHEMBL178312

SMILES: CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCC1

InChI Key: InChIKey=WHAIZABWYXHNPG-DHZHZOJOSA-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 = 50161876   

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))	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 UniProtKB/TrEMBL 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
Epidermal growth factor receptor (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	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