Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase catalytic subunit' and Ligand = 'BDBM50526939'   

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))	BDBM50526939 (CHEMBL4552812) Show SMILES Cn1c2cnc(Nc3ccc4nccn4c3)nc2n([C@H]2CC[C@H](O)CC2)c1=O |r,wU:22.25,wD:19.21,(4.91,-54.43,;6.41,-54.11,;7.56,-55.15,;7.56,-56.7,;8.9,-57.46,;10.22,-56.69,;11.55,-57.46,;12.89,-56.69,;14.22,-57.47,;15.56,-56.71,;15.56,-55.16,;16.7,-54.12,;16.07,-52.71,;14.54,-52.88,;14.22,-54.39,;12.89,-55.16,;10.23,-55.15,;8.89,-54.37,;8.57,-52.86,;9.59,-51.71,;11.09,-52.03,;12.12,-50.9,;11.65,-49.44,;12.68,-48.3,;10.14,-49.11,;9.11,-50.26,;7.04,-52.7,;6.27,-51.37,)| Show InChI InChI=1S/C19H21N7O2/c1-24-15-10-21-18(22-12-2-7-16-20-8-9-25(16)11-12)23-17(15)26(19(24)28)13-3-5-14(27)6-4-13/h2,7-11,13-14,27H,3-6H2,1H3,(H,21,22,23)/t13-,14-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
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