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Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-2' and Ligand = 'BDBM50541716'   
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))
BDBM50541716
PNG
(CHEMBL4641515 | US11926614, Example 10)
Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)NC(=O)c1ccccn1 |r,wU:20.25,wD:18.20,(68.32,-51.25,;66.99,-52.03,;66.99,-53.57,;65.65,-54.34,;64.31,-53.57,;64.31,-52.03,;65.65,-51.26,;65.65,-49.72,;66.9,-48.82,;66.43,-47.35,;64.88,-47.35,;64.4,-48.82,;62.94,-49.29,;62.62,-50.79,;61.16,-51.27,;60,-50.24,;60.33,-48.73,;61.8,-48.25,;68.37,-49.29,;69.07,-50.67,;70.44,-49.97,;69.74,-48.6,;71.91,-50.45,;73.05,-49.43,;72.74,-47.92,;74.51,-49.91,;75.64,-48.88,;77.1,-49.35,;77.42,-50.86,;76.28,-51.89,;74.82,-51.41,)|
Show InChI InChI=1S/C22H18ClN7O/c23-16-5-1-2-7-19(16)30-20(28-29-21(30)17-8-10-24-13-26-17)14-11-15(12-14)27-22(31)18-6-3-4-9-25-18/h1-10,13-15H,11-12H2,(H,27,31)/t14-,15-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.5n/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))
BDBM50541716
PNG
(CHEMBL4641515 | US11926614, Example 10)
Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)NC(=O)c1ccccn1 |r,wU:20.25,wD:18.20,(68.32,-51.25,;66.99,-52.03,;66.99,-53.57,;65.65,-54.34,;64.31,-53.57,;64.31,-52.03,;65.65,-51.26,;65.65,-49.72,;66.9,-48.82,;66.43,-47.35,;64.88,-47.35,;64.4,-48.82,;62.94,-49.29,;62.62,-50.79,;61.16,-51.27,;60,-50.24,;60.33,-48.73,;61.8,-48.25,;68.37,-49.29,;69.07,-50.67,;70.44,-49.97,;69.74,-48.6,;71.91,-50.45,;73.05,-49.43,;72.74,-47.92,;74.51,-49.91,;75.64,-48.88,;77.1,-49.35,;77.42,-50.86,;76.28,-51.89,;74.82,-51.41,)|
Show InChI InChI=1S/C22H18ClN7O/c23-16-5-1-2-7-19(16)30-20(28-29-21(30)17-8-10-24-13-26-17)14-11-15(12-14)27-22(31)18-6-3-4-9-25-18/h1-10,13-15H,11-12H2,(H,27,31)/t14-,15-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90n/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