Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50321952'   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50321952 (9-benzyl-N-(4-methoxyphenyl)-2-(piperazin-1-yl)-9H...) Show SMILES COc1ccc(Nc2nc(nc3n(Cc4ccccc4)cnc23)N2CCNCC2)cc1 Show InChI InChI=1S/C23H25N7O/c1-31-19-9-7-18(8-10-19)26-21-20-22(28-23(27-21)29-13-11-24-12-14-29)30(16-25-20)15-17-5-3-2-4-6-17/h2-10,16,24H,11-15H2,1H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition cSRC				Bioorg Med Chem 18: 4615-24 (2011) Article DOI: 10.1016/j.bmc.2010.05.032 BindingDB Entry DOI: 10.7270/Q26H4JCQ
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