Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50271272'   

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))	BDBM50271272 (CHEMBL490062 | N-(1-benzyl-1H-indazol-5-yl)-6-(5-(...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1 Show InChI InChI=1S/C30H28N6O3S/c1-40(37,38)14-13-31-18-25-9-12-29(39-25)22-7-10-27-26(16-22)30(33-20-32-27)35-24-8-11-28-23(15-24)17-34-36(28)19-21-5-3-2-4-6-21/h2-12,15-17,20,31H,13-14,18-19H2,1H3,(H,32,33,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of HER2 (unknown origin)				J Med Chem 51: 3367-77 (2008) Article DOI: 10.1021/jm7013875 BindingDB Entry DOI: 10.7270/Q2086532
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