Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase catalytic subunit' and Ligand = 'BDBM50341739'   

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))	BDBM50341739 (3-amino-6-(4-(methylcarbamoyl)phenyl)-N-phenylpyra...) Show SMILES CNC(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H17N5O2/c1-21-18(25)13-9-7-12(8-10-13)15-11-22-17(20)16(24-15)19(26)23-14-5-3-2-4-6-14/h2-11H,1H3,(H2,20,22)(H,21,25)(H,23,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of DNAPK after 2 hrs by radiometric phosphate incorporation assay				J Med Chem 54: 2320-30 (2011) Article DOI: 10.1021/jm101488z BindingDB Entry DOI: 10.7270/Q2WS8TK6
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