Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Breakpoint cluster region protein/Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50341120'   

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
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50341120 (4-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(triflu...) Show SMILES Cc1ccc(cc1Nc1nc(cs1)-c1cccnc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-c1cnn(C)c1 Show InChI InChI=1S/C27H21F3N6OS/c1-16-5-6-17(10-23(16)34-26-35-24(15-38-26)18-4-3-7-31-12-18)25(37)33-22-9-19(20-13-32-36(2)14-20)8-21(11-22)27(28,29)30/h3-15H,1-2H3,(H,33,37)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	491	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Bcr/Abl by FRET-based Z-lyte assay				Bioorg Med Chem Lett 21: 1965-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.029 BindingDB Entry DOI: 10.7270/Q26D5T9G
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