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SMILES: COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OP(O)(=O)c1ccccc1

InChI Key: InChIKey=TXHHSABRSGTQMK-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 128767   
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))
BDBM128767
PNG
(US8802712, 25)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OP(O)(=O)c1ccccc1
Show InChI InChI=1S/C25H19N4O4P/c1-29-21-15-27-20-13-22(32-2)23(33-34(30,31)18-6-4-3-5-7-18)12-19(20)24(21)25(28-29)17-10-8-16(14-26)9-11-17/h3-13,15H,1-2H3,(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
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