BDBM50161955 4-[(2-Hydroxy-ethyl)-methyl-amino]-but-2-enoic acid [4-(4-benzyloxy-3-chloro-phenylamino)-3-cyano-7-ethoxy-quinolin-6-yl]-amide::CHEMBL361343

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

InChI Key: InChIKey=XQMZYPWMBLSXOO-JXMROGBWSA-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 = 50161955   

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))	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 UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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
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