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 = 'BDBM50117272'   

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))	BDBM50117272 (CHEMBL3613487) Show SMILES FC(F)(F)c1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C24H20F3N3O2/c25-24(26,27)20-5-3-4-19(16-20)23(32)30-14-12-29(13-15-30)22(31)18-9-7-17(8-10-18)21-6-1-2-11-28-21/h1-11,16H,12-15H2	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	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
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