Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50215746'   

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))	BDBM50215746 (6-methoxy-2-(4-(2-(5-methoxypyridin-3-yl)vinyl)-1H...) Show SMILES COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cncc(OC)c1 |w:17.20| Show InChI InChI=1S/C19H17N5O2/c1-25-14-5-6-16-17(8-14)23-19(22-16)18-13(10-21-24-18)4-3-12-7-15(26-2)11-20-9-12/h3-11H,1-2H3,(H,21,24)(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 17: 4557-61 (2007) Article DOI: 10.1016/j.bmcl.2007.05.092 BindingDB Entry DOI: 10.7270/Q2DB81JD
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