Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50293993'   

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))	BDBM50293993 ((E)-3-(2-(Purin-9-yl)vinyl)-4-methyl-N-(4-(trifluo...) Show SMILES Cc1ccc(cc1\C=C\n1cnc2cncnc12)C(=O)Nc1cc(ccn1)C(F)(F)F Show InChI InChI=1S/C21H15F3N6O/c1-13-2-3-15(20(31)29-18-9-16(4-6-26-18)21(22,23)24)8-14(13)5-7-30-12-28-17-10-25-11-27-19(17)30/h2-12H,1H3,(H,26,29,31)/b7-5+	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	38	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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