Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase catalytic subunit' and Ligand = 'BDBM155087'   

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))	BDBM155087 (US9000153, 40) Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1-c1cc(nn1C)C(F)(F)F |(-5.55,-.84,;-4.22,-.07,;-2.89,-.84,;-2.89,-2.38,;-1.55,-3.15,;-1.55,-4.69,;-.22,-5.46,;1.11,-4.69,;2.58,-5.17,;3.35,-6.5,;3.48,-3.92,;5.02,-3.92,;2.58,-2.68,;2.98,-1.19,;1.89,-.1,;2.29,1.39,;3.77,1.78,;4.86,.7,;4.47,-.79,;5.55,-1.88,;4.17,3.27,;4.57,4.76,;1.11,-3.15,;-.22,-2.38,;-.22,-.84,;-1.55,-.07,;-1.55,1.47,;-.31,2.37,;-.78,3.84,;-2.32,3.84,;-2.8,2.37,;-4.13,1.6,;-.01,5.17,;-.78,6.5,;1.32,5.94,;1.32,4.4,)| Show InChI InChI=1S/C24H16F4N6O2/c1-32-19-11-30-16-8-20(36-3)14(18-9-21(24(26,27)28)31-33(18)2)7-13(16)22(19)34(23(32)35)17-5-4-12(10-29)6-15(17)25/h4-9,11H,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	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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