Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase catalytic subunit' and Ligand = 'BDBM50439921'   

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))	BDBM50439921 (CHEMBL2420428) Show SMILES OCCNCC(=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 Show InChI InChI=1S/C29H27N3O5S/c33-13-10-30-17-25(35)31-22-9-8-19(29-27(22)21-4-1-2-7-24(21)38-29)18-5-3-6-20-23(34)16-26(37-28(18)20)32-11-14-36-15-12-32/h1-9,16,30,33H,10-15,17H2,(H,31,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
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