Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase catalytic subunit' and Ligand = 'BDBM50439948'   

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))	BDBM50439948 (CHEMBL2420425) Show SMILES CN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C32H32N4O4S/c1-34-11-13-35(14-12-34)20-28(38)33-25-10-9-22(32-30(25)24-5-2-3-8-27(24)41-32)21-6-4-7-23-26(37)19-29(40-31(21)23)36-15-17-39-18-16-36/h2-10,19H,11-18,20H2,1H3,(H,33,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439948 (CHEMBL2420425) Show SMILES CN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C32H32N4O4S/c1-34-11-13-35(14-12-34)20-28(38)33-25-10-9-22(32-30(25)24-5-2-3-8-27(24)41-32)21-6-4-7-23-26(37)19-29(40-31(21)23)36-15-17-39-18-16-36/h2-10,19H,11-18,20H2,1H3,(H,33,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	426	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of DNA-PK autophosphorylation at S2056 in human HeLa cells				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair