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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)' and Ligand = 'BDBM50427995'   
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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50427995
PNG
(CHEMBL2325497)
Show SMILES Clc1ccccc1-n1c(SCc2nnc(o2)-c2ccc(cc2)C#N)nnc1-c1ccncc1 |(73,-11.83,;74.34,-11.06,;74.34,-9.51,;75.67,-8.74,;77,-9.51,;77.01,-11.06,;75.67,-11.83,;75.67,-13.37,;74.42,-14.27,;72.96,-13.8,;71.81,-14.83,;70.35,-14.35,;69.87,-12.88,;68.33,-12.88,;67.86,-14.35,;69.1,-15.25,;66.39,-14.83,;65.25,-13.79,;63.79,-14.27,;63.47,-15.78,;64.61,-16.81,;66.07,-16.33,;62.01,-16.25,;60.55,-16.73,;74.9,-15.74,;76.44,-15.74,;76.91,-14.27,;78.37,-13.8,;79.52,-14.83,;80.98,-14.35,;81.3,-12.85,;80.15,-11.81,;78.69,-12.29,)|
Show InChI InChI=1S/C23H14ClN7OS/c24-18-3-1-2-4-19(18)31-21(16-9-11-26-12-10-16)28-30-23(31)33-14-20-27-29-22(32-20)17-7-5-15(13-25)6-8-17/h1-12H,14H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Oslo University Hospital

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by NAD+-dependent autopoly(ADP ribosyl)lation assay


J Med Chem 56: 3012-23 (2013)


Article DOI: 10.1021/jm4000566
BindingDB Entry DOI: 10.7270/Q2Z60QC0
More data for this
Ligand-Target Pair