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Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2' and Ligand = 'BDBM50541718'   
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
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2


(Homo sapiens (Human))
BDBM50541718
PNG
(CHEMBL4633531)
Show SMILES CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)n2c3ccc(cc3[nH]c2=O)C#N)n1-c1ccccc1Cl |r,wU:15.18,wD:13.13,(29.39,-5.09,;30.85,-4.61,;31.99,-5.63,;33.45,-5.15,;34.61,-6.18,;36.07,-5.7,;36.38,-4.2,;35.24,-3.16,;33.77,-3.64,;37.84,-3.72,;38.32,-2.26,;39.86,-2.26,;40.34,-3.72,;41.8,-4.2,;42.51,-5.58,;43.88,-4.87,;43.18,-3.51,;45.35,-5.36,;45.83,-6.81,;45.07,-8.14,;45.83,-9.47,;47.38,-9.47,;48.15,-8.14,;47.37,-6.82,;47.85,-5.35,;46.61,-4.44,;46.6,-2.89,;48.17,-10.8,;48.94,-12.13,;39.09,-4.63,;39.1,-6.17,;37.76,-6.94,;37.76,-8.48,;39.1,-9.25,;40.44,-8.47,;40.43,-6.94,;41.76,-6.16,)|
Show InChI InChI=1S/C27H22ClN7O2/c1-2-37-19-8-9-21(30-15-19)26-33-32-25(35(26)23-6-4-3-5-20(23)28)17-12-18(13-17)34-24-10-7-16(14-29)11-22(24)31-27(34)36/h3-11,15,17-18H,2,12-13H2,1H3,(H,31,36)/t17-,18-
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of TNKS1/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by dual-glo lucifer...


J Med Chem 63: 6834-6846 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00208
BindingDB Entry DOI: 10.7270/Q2RR22SX
More data for this
Ligand-Target Pair