Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase catalytic subunit' and Ligand = 'BDBM50535972'   

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))	BDBM50535972 (CHEMBL4565988) Show SMILES C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H19ClN4O/c1-14(15-4-7-18(24)8-5-15)28-22-19-11-16(17-3-2-10-26-12-17)6-9-21(19)27-13-20(22)23(25)29/h2-14H,1H3,(H2,25,29)(H,27,28)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of DNAPK (unknown origin) using p53-based peptide substrate preincubated for 5 min prior to ATP addition				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519 BindingDB Entry DOI: 10.7270/Q2NV9NR8
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