Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50293998'   

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))	BDBM50293998 ((E)-N-(4-Methyl-3-(2-(6-(pyrimid-4-yl-amino)-9H-pu...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(Nc3ccncn3)ncnc12 Show InChI InChI=1S/C26H19F3N8O/c1-16-5-6-20(35-25(38)18-3-2-4-19(11-18)26(27,28)29)12-17(16)8-10-37-15-34-22-23(32-14-33-24(22)37)36-21-7-9-30-13-31-21/h2-15H,1H3,(H,35,38)(H,30,31,32,33,36)/b10-8+	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	4.00E+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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