Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50215751'   

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))	BDBM50215751 (2-(4-(2-(pyridin-3-yl)vinyl)-1H-pyrazol-3-yl)-1H-i...) Show SMILES N#Cc1cnc([nH]1)-c1n[nH]cc1C=Cc1cccnc1 |w:13.15| Show InChI InChI=1S/C14H10N6/c15-6-12-9-17-14(19-12)13-11(8-18-20-13)4-3-10-2-1-5-16-7-10/h1-5,7-9H,(H,17,19)(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+5	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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