Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50161946'   

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))	BDBM50161946 (4-Dimethylamino-but-2-enoic acid [4-(1-benzenesulf...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc4n(ccc4c3)S(=O)(=O)c3ccccc3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C32H30N6O4S/c1-4-42-30-19-27-26(18-28(30)36-31(39)11-8-15-37(2)3)32(23(20-33)21-34-27)35-24-12-13-29-22(17-24)14-16-38(29)43(40,41)25-9-6-5-7-10-25/h5-14,16-19,21H,4,15H2,1-3H3,(H,34,35)(H,36,39)/b11-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	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
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