Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50161907'   

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
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