Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50294008'   

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))	BDBM50294008 ((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...) Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(on1)C(C)(C)C Show InChI InChI=1S/C25H27N7O2/c1-15-5-6-17(24(33)30-20-12-19(34-31-20)25(2,3)4)11-16(15)9-10-32-14-28-21-22(29-18-7-8-18)26-13-27-23(21)32/h5-6,9-14,18H,7-8H2,1-4H3,(H,26,27,29)(H,30,31,33)/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Src kinase by TR-FRET assay				J Med Chem 52: 4743-56 (2009) Article DOI: 10.1021/jm900166t BindingDB Entry DOI: 10.7270/Q2BC3ZKV
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