Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase catalytic subunit' and Ligand = 'BDBM179345'   

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))	BDBM179345 (US9126952, 48) Show SMILES Cc1nc(sc1C)C(O)C1CCCN(C1)c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C23H29N5O2S/c1-15-16(2)31-23(26-15)21(29)17-4-3-7-28(13-17)22-19-6-5-18(12-20(19)24-14-25-22)27-8-10-30-11-9-27/h5-6,12,14,17,21,29H,3-4,7-11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.4	25
Merck Patent GmbH US Patent					Assay Description The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...				US Patent US9126952 (2015) BindingDB Entry DOI: 10.7270/Q2JH3JZ2
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