Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50294002'   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50294002 ((E)-1-(3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vi...) Show SMILES Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(NC3CC3)ncnc12 Show InChI InChI=1S/C25H22F3N7O/c1-15-5-6-20(34-24(36)33-19-4-2-3-17(12-19)25(26,27)28)11-16(15)9-10-35-14-31-21-22(32-18-7-8-18)29-13-30-23(21)35/h2-6,9-14,18H,7-8H2,1H3,(H,29,30,32)(H2,33,34,36)/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of wild type human Abl 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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