Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50294000'   

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))	BDBM50294000 ((E)-N-(4-Methyl-3-(2-(6-(3-(N',N''-dimethylamino)p...) Show SMILES CN(C)CCCNc1ncnc2n(\C=C\c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cnc12 Show InChI InChI=1S/C27H28F3N7O/c1-18-8-9-22(35-26(38)20-6-4-7-21(14-20)27(28,29)30)15-19(18)10-13-37-17-34-23-24(32-16-33-25(23)37)31-11-5-12-36(2)3/h4,6-10,13-17H,5,11-12H2,1-3H3,(H,35,38)(H,31,32,33)/b13-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+5	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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