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Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-2' and Ligand = 'BDBM50541699'   
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-2


(Homo sapiens (Human))
BDBM50541699
PNG
(CHEMBL4640220 | US11926614, Example 144)
Show SMILES CS(=O)(=O)c1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(59.94,-18.38,;61.09,-19.41,;61.48,-20.89,;60,-20.49,;62.55,-18.93,;63.71,-19.97,;65.17,-19.48,;65.48,-17.98,;64.34,-16.95,;62.88,-17.43,;66.94,-17.51,;67.42,-16.05,;68.96,-16.05,;69.43,-17.51,;70.9,-17.99,;71.6,-19.36,;72.97,-18.66,;72.27,-17.29,;74.43,-19.14,;75.58,-18.11,;75.26,-16.6,;77.04,-18.59,;78.17,-17.55,;79.64,-18.02,;79.96,-19.54,;78.82,-20.57,;77.36,-20.09,;68.19,-18.42,;68.19,-19.95,;66.85,-20.72,;66.85,-22.26,;68.19,-23.03,;69.53,-22.25,;69.52,-20.72,;70.85,-19.94,)|
Show InChI InChI=1S/C24H21FN6O3S/c1-35(33,34)17-9-10-19(27-14-17)23-30-29-22(31(23)21-8-3-2-6-18(21)25)15-12-16(13-15)28-24(32)20-7-4-5-11-26-20/h2-11,14-16H,12-13H2,1H3,(H,28,32)/t15-,16-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 9.20n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50541699
PNG
(CHEMBL4640220 | US11926614, Example 144)
Show SMILES CS(=O)(=O)c1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(59.94,-18.38,;61.09,-19.41,;61.48,-20.89,;60,-20.49,;62.55,-18.93,;63.71,-19.97,;65.17,-19.48,;65.48,-17.98,;64.34,-16.95,;62.88,-17.43,;66.94,-17.51,;67.42,-16.05,;68.96,-16.05,;69.43,-17.51,;70.9,-17.99,;71.6,-19.36,;72.97,-18.66,;72.27,-17.29,;74.43,-19.14,;75.58,-18.11,;75.26,-16.6,;77.04,-18.59,;78.17,-17.55,;79.64,-18.02,;79.96,-19.54,;78.82,-20.57,;77.36,-20.09,;68.19,-18.42,;68.19,-19.95,;66.85,-20.72,;66.85,-22.26,;68.19,-23.03,;69.53,-22.25,;69.52,-20.72,;70.85,-19.94,)|
Show InChI InChI=1S/C24H21FN6O3S/c1-35(33,34)17-9-10-19(27-14-17)23-30-29-22(31(23)21-8-3-2-6-18(21)25)15-12-16(13-15)28-24(32)20-7-4-5-11-26-20/h2-11,14-16H,12-13H2,1H3,(H,28,32)/t15-,16-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.20n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of human TNKS2 (873 to 1162 residues) measured after 20 hrs in presence of NAD+ by fluorescence assay


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