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 = 'BDBM50190680'   

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))	BDBM50190680 (CHEMBL3937023) Show SMILES Fc1cccc(F)c1C(=O)N1CCN(CC1)c1nc(Cl)ncc1Br Show InChI InChI=1S/C15H12BrClF2N4O/c16-9-8-20-15(17)21-13(9)22-4-6-23(7-5-22)14(24)12-10(18)2-1-3-11(12)19/h1-3,8H,4-7H2	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	2.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rallis India Limited Curated by ChEMBL					Assay Description Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay				Eur J Med Chem 119: 70-82 (2016) Article DOI: 10.1016/j.ejmech.2016.04.056 BindingDB Entry DOI: 10.7270/Q2445PDS
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