Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase catalytic subunit' and Ligand = 'BDBM251662'   

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))	BDBM251662 (US9453031, 87) Show SMILES CNc1nc2ccc(Cl)cc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H23ClN6O4S/c1-23-19-24-14-4-3-12(22)9-15(14)28(19)20-25-17(21(5-6-21)33(2,29)30)16-18(26-20)27-7-8-31-10-13(27)11-32-16/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,23,24)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	210	n/a	n/a	n/a	n/a	7.5	37
Fundación Centro Nacional de Investigaciones Oncológicas Carlos III US Patent					Assay Description The kinase activity was measured by using the commercial ADP Hunter Plus assay available from DiscoveRx (#90-0083), which is a homogeneous assay to m...				US Patent US9453031 (2016) BindingDB Entry DOI: 10.7270/Q27H1HH8
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