Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50293999'   

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))	BDBM50293999 ((E)-N-(3-(2-(6-(4-(Dimethylphosphoryl)phenylamino)...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12 Show InChI InChI=1S/C30H26F3N6O2P/c1-19-7-8-24(38-29(40)21-5-4-6-22(15-21)30(31,32)33)16-20(19)13-14-39-18-36-26-27(34-17-35-28(26)39)37-23-9-11-25(12-10-23)42(2,3)41/h4-18H,1-3H3,(H,38,40)(H,34,35,37)/b14-13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+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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