Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase catalytic subunit' and Ligand = 'BDBM155084'   

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))	BDBM155084 (US9000153, 37) Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1-c1cn[nH]c1 |(-5.55,.03,;-4.22,.8,;-2.89,.03,;-2.89,-1.51,;-1.55,-2.28,;-1.55,-3.82,;-.22,-4.59,;1.11,-3.82,;2.58,-4.3,;3.35,-5.63,;3.48,-3.05,;5.02,-3.05,;2.58,-1.81,;2.98,-.32,;1.89,.77,;2.29,2.26,;3.77,2.66,;4.86,1.57,;4.47,.08,;5.55,-1.01,;4.17,4.14,;4.57,5.63,;1.11,-2.28,;-.22,-1.51,;-.22,.03,;-1.55,.8,;-1.55,2.34,;-.31,3.24,;-.78,4.71,;-2.32,4.71,;-2.8,3.24,)| Show InChI InChI=1S/C22H15FN6O2/c1-28-19-11-25-17-7-20(31-2)14(13-9-26-27-10-13)6-15(17)21(19)29(22(28)30)18-4-3-12(8-24)5-16(18)23/h3-7,9-11H,1-2H3,(H,26,27)	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 US9000153 (2015) BindingDB Entry DOI: 10.7270/Q2Z89B4D
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