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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase catalytic subunit' and Ligand = 'BDBM179342'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM179342
PNG
(US9126952, 45)
Show SMILES OC(C1CCCN(C1)c1ncnc2cc(ccc12)N1CCOCC1)c1ccsc1
Show InChI InChI=1S/C22H26N4O2S/c27-21(17-5-11-29-14-17)16-2-1-6-26(13-16)22-19-4-3-18(12-20(19)23-15-24-22)25-7-9-28-10-8-25/h3-5,11-12,14-16,21,27H,1-2,6-10,13H2
PDB

KEGG

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PC cid
PC sid
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Similars

US Patent
n/an/a<100n/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 US9126952 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3JZ2
More data for this
Ligand-Target Pair