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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase' and Ligand = 'BDBM50401456'   
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


(Homo sapiens (Human))
BDBM50401456
PNG
(CHEMBL2204548)
Show SMILES O=c1nc(oc2c(OCc3cccnc3)cccc12)N(Cc1cccnc1)c1cccnc1
Show InChI InChI=1S/C25H19N5O3/c31-24-21-8-1-9-22(32-17-19-6-3-11-27-14-19)23(21)33-25(29-24)30(20-7-4-12-28-15-20)16-18-5-2-10-26-13-18/h1-15H,16-17H2
PDB

KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.35E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair