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 = 'BDBM50399377'   

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))	BDBM50399377 (CHEMBL2178267) Show SMILES Cc1ccc(cc1-n1cc(nn1)-c1cnc2[nH]ncc2c1)C(=O)Nc1ccc(CN2CCOCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C28H25F3N8O2/c1-17-2-3-18(11-25(17)39-16-24(35-37-39)20-10-21-14-33-36-26(21)32-13-20)27(40)34-22-5-4-19(23(12-22)28(29,30)31)15-38-6-8-41-9-7-38/h2-5,10-14,16H,6-9,15H2,1H3,(H,34,40)(H,32,33,36)	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	1.42	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay				J Med Chem 55: 10033-46 (2012) Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23
					More data for this Ligand-Target Pair