Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50119073'   

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))	BDBM50119073 (4-(3-Ethynyl-phenylamino)-6,7-bis-(2-methoxy-ethox...) Show SMILES COCCOc1cc2ncc(C#N)c(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C24H23N3O4/c1-4-17-6-5-7-19(12-17)27-24-18(15-25)16-26-21-14-23(31-11-9-29-3)22(13-20(21)24)30-10-8-28-2/h1,5-7,12-14,16H,8-11H2,2-3H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.18E+4	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 autophosphorylation				Bioorg Med Chem Lett 12: 2893-7 (2002) BindingDB Entry DOI: 10.7270/Q23J3DHW
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