Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase catalytic subunit' and Ligand = 'BDBM50208502'   

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
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50208502 (2-morpholino-6-(3-(trifluoromethoxy)phenyl)-4H-pyr...) Show SMILES FC(F)(F)Oc1cccc(c1)-c1cc(=O)cc(o1)N1CCOCC1 Show InChI InChI=1S/C16H14F3NO4/c17-16(18,19)24-13-3-1-2-11(8-13)14-9-12(21)10-15(23-14)20-4-6-22-7-5-20/h1-3,8-10H,4-7H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of DNA-PK in HeLa cell nuclear extracts				J Med Chem 50: 1958-72 (2007) Article DOI: 10.1021/jm061121y BindingDB Entry DOI: 10.7270/Q2FB52MW
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