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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 = 'BDBM50427992'   
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))
BDBM50427992
PNG
(CHEMBL2325500)
Show SMILES CS(=O)(=O)c1ccc(nc1)-c1nnc(SCc2nnc(o2)-c2ccc(Cl)cc2)n1-c1ccccc1Cl |(68.61,-24.56,;67.46,-23.53,;67.06,-22.04,;68.55,-22.43,;66,-24.01,;64.84,-22.98,;63.38,-23.46,;63.07,-24.96,;64.21,-25.99,;65.67,-25.52,;61.61,-25.43,;61.13,-26.9,;59.59,-26.9,;59.12,-25.43,;57.65,-24.96,;56.51,-25.99,;55.04,-25.51,;54.57,-24.04,;53.03,-24.04,;52.55,-25.51,;53.8,-26.41,;51.09,-25.99,;49.94,-24.95,;48.48,-25.43,;48.17,-26.94,;46.7,-27.41,;49.31,-27.97,;50.77,-27.49,;60.36,-24.53,;60.37,-22.99,;61.7,-22.22,;61.7,-20.67,;60.36,-19.9,;59.03,-20.67,;59.03,-22.22,;57.7,-22.99,)|
Show InChI InChI=1S/C23H16Cl2N6O3S2/c1-36(32,33)16-10-11-18(26-12-16)21-28-30-23(31(21)19-5-3-2-4-17(19)25)35-13-20-27-29-22(34-20)14-6-8-15(24)9-7-14/h2-12H,13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 43n/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