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SMILES: COC(=O)C(Oc1cc2c3c(nn(C)c3cnc2cc1OC)-c1ccc(cc1)C#N)c1ccc(F)cc1

InChI Key: InChIKey=AJBPZPFVJSYSMM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 128760   
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))		BDBM128760
PNG
(US8802712, 18)
Show SMILES COC(=O)C(Oc1cc2c3c(nn(C)c3cnc2cc1OC)-c1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C28H21FN4O4/c1-33-22-15-31-21-13-23(35-2)24(37-27(28(34)36-3)18-8-10-19(29)11-9-18)12-20(21)25(22)26(32-33)17-6-4-16(14-30)5-7-17/h4-13,15,27H,1-3H3
PDB

KEGG

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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