Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-2' and Ligand = 'BDBM50579975' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50579975
(CHEMBL5085591 | US11926614, Example 159)Show SMILES CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc(F)cc3nccnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(18.78,-58.1,;19.67,-56.87,;21.19,-57.02,;22.09,-55.79,;23.61,-55.95,;24.5,-54.72,;23.88,-53.33,;22.36,-53.17,;21.47,-54.4,;24.78,-52.1,;24.3,-50.63,;25.55,-49.72,;26.81,-50.63,;28.27,-50.14,;29.65,-50.85,;30.35,-49.48,;28.98,-48.77,;31.83,-49,;32.15,-47.49,;31,-46.45,;33.63,-47.01,;33.94,-45.49,;35.4,-45.01,;35.71,-43.52,;36.56,-46.04,;36.24,-47.56,;37.38,-48.59,;37.07,-50.1,;35.59,-50.58,;34.45,-49.55,;34.77,-48.04,;26.33,-52.1,;27.22,-53.34,;26.59,-54.73,;27.49,-55.96,;29.01,-55.8,;29.63,-54.4,;28.73,-53.17,;29.34,-51.77,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50579975
(CHEMBL5085591 | US11926614, Example 159)Show SMILES CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc(F)cc3nccnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(18.78,-58.1,;19.67,-56.87,;21.19,-57.02,;22.09,-55.79,;23.61,-55.95,;24.5,-54.72,;23.88,-53.33,;22.36,-53.17,;21.47,-54.4,;24.78,-52.1,;24.3,-50.63,;25.55,-49.72,;26.81,-50.63,;28.27,-50.14,;29.65,-50.85,;30.35,-49.48,;28.98,-48.77,;31.83,-49,;32.15,-47.49,;31,-46.45,;33.63,-47.01,;33.94,-45.49,;35.4,-45.01,;35.71,-43.52,;36.56,-46.04,;36.24,-47.56,;37.38,-48.59,;37.07,-50.1,;35.59,-50.58,;34.45,-49.55,;34.77,-48.04,;26.33,-52.1,;27.22,-53.34,;26.59,-54.73,;27.49,-55.96,;29.01,-55.8,;29.63,-54.4,;28.73,-53.17,;29.34,-51.77,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human TNKS2 (873 to 1162 residues) incubated for 20 hrs in presence of NAD |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01264
BindingDB Entry DOI: 10.7270/Q21R6VDH |
More data for this
Ligand-Target Pair | |
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