Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase catalytic subunit' and Ligand = 'BDBM50401469'   

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))	BDBM50401469 (CHEMBL1276533) Show SMILES CN1CCN(CCOc2cccc3c2oc(nc3=O)N2CCOCC2)CC1 Show InChI InChI=1S/C19H26N4O4/c1-21-5-7-22(8-6-21)9-14-26-16-4-2-3-15-17(16)27-19(20-18(15)24)23-10-12-25-13-11-23/h2-4H,5-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
La Trobe University Curated by ChEMBL					Assay Description Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay				Eur J Med Chem 57: 85-101 (2012) Article DOI: 10.1016/j.ejmech.2012.08.035 BindingDB Entry DOI: 10.7270/Q2XS5WK6
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