Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50304211'   

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))	BDBM50304211 (CHEMBL596087 | N-[4-(Benzo[d]thiazol-2''-yl)-2-flu...) Show SMILES COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(C)c3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C31H34N6O2S/c1-21-17-22(9-10-23(21)31-35-25-7-4-5-8-29(25)40-31)34-30-24-18-27(38-3)28(19-26(24)32-20-33-30)39-16-6-11-37-14-12-36(2)13-15-37/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of ERBB2 by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
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