Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50293996'   

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))	BDBM50293996 ((E)-N-(4-Methyl-3-(2-(6-(pyrid-3-yl-amino)-9H-puri...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(Nc3cccnc3)ncnc12 Show InChI InChI=1S/C27H20F3N7O/c1-17-7-8-21(36-26(38)19-4-2-5-20(12-19)27(28,29)30)13-18(17)9-11-37-16-34-23-24(32-15-33-25(23)37)35-22-6-3-10-31-14-22/h2-16H,1H3,(H,36,38)(H,32,33,35)/b11-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+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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