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 = 'BDBM50190679'   

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))	BDBM50190679 (CHEMBL3953682) Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)N1CCN(CC1)c1nc(Cl)ncc1Br)C(F)(F)F Show InChI InChI=1S/C15H12BrClF3N5O4S/c16-10-8-21-14(17)22-13(10)23-3-5-24(6-4-23)30(28,29)12-2-1-9(15(18,19)20)7-11(12)25(26)27/h1-2,7-8H,3-6H2	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	22.6	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
					More data for this Ligand-Target Pair