Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50293994'   

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))	BDBM50293994 ((E)-N-(4-Methyl-3-(2-(6-(cyclopropylamino)-9H-puri...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(NC3CC3)ncnc12 Show InChI InChI=1S/C25H21F3N6O/c1-15-5-6-20(33-24(35)17-3-2-4-18(11-17)25(26,27)28)12-16(15)9-10-34-14-31-21-22(32-19-7-8-19)29-13-30-23(21)34/h2-6,9-14,19H,7-8H2,1H3,(H,33,35)(H,29,30,32)/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	7.40E+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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