Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM13246'   

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))	BDBM13246 (5-N-(2-chloro-6-methylphenyl)-2-N-cyclopropane-1,3...) Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2CC2)s1 Show InChI InChI=1S/C15H14ClN3O2S/c1-8-3-2-4-10(16)12(8)18-14(21)11-7-17-15(22-11)19-13(20)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,18,21)(H,17,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of HER2 kinase				Bioorg Med Chem Lett 13: 4007-10 (2003) BindingDB Entry DOI: 10.7270/Q2CC103J
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