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SMILES: COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OC(C(=O)NCCS(N)(=O)=O)c1ccc(F)cc1

InChI Key: InChIKey=YVVWYXNHHRYAJH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 128794   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM128794
PNG
(US8802712, 52)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OC(C(=O)NCCS(N)(=O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H25FN6O5S/c1-36-23-16-34-22-14-24(40-2)25(13-21(22)26(23)27(35-36)18-5-3-17(15-31)4-6-18)41-28(19-7-9-20(30)10-8-19)29(37)33-11-12-42(32,38)39/h3-10,13-14,16,28H,11-12H2,1-2H3,(H,33,37)(H2,32,38,39)
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Similars
US Patent
n/an/a 0.300n/an/an/an/a7.425



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 US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair