Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-2' and Ligand = 'BDBM50541705' 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)) | BDBM50541705
(CHEMBL4641728 | US11926614, Example 196)Show SMILES Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccccc1F |r,wU:13.16,wD:11.11,(61.71,-45.23,;62.85,-46.26,;62.53,-47.77,;63.69,-48.8,;65.14,-48.32,;65.46,-46.82,;64.32,-45.78,;66.92,-46.34,;67.39,-44.88,;68.93,-44.88,;69.41,-46.34,;70.88,-46.82,;71.57,-48.2,;72.95,-47.5,;72.25,-46.12,;74.41,-47.97,;75.55,-46.94,;75.23,-45.44,;77.02,-47.42,;78.15,-46.39,;79.61,-46.86,;79.94,-48.37,;78.79,-49.4,;77.34,-48.92,;68.16,-47.25,;68.17,-48.78,;66.83,-49.55,;66.83,-51.09,;68.17,-51.86,;69.5,-51.08,;69.5,-49.55,;70.83,-48.77,)| Show InChI InChI=1S/C24H21FN6O/c1-15-7-6-10-19(27-15)23-30-29-22(31(23)21-11-3-2-8-18(21)25)16-13-17(14-16)28-24(32)20-9-4-5-12-26-20/h2-12,16-17H,13-14H2,1H3,(H,28,32)/t16-,17- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50541705
(CHEMBL4641728 | US11926614, Example 196)Show SMILES Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccccc1F |r,wU:13.16,wD:11.11,(61.71,-45.23,;62.85,-46.26,;62.53,-47.77,;63.69,-48.8,;65.14,-48.32,;65.46,-46.82,;64.32,-45.78,;66.92,-46.34,;67.39,-44.88,;68.93,-44.88,;69.41,-46.34,;70.88,-46.82,;71.57,-48.2,;72.95,-47.5,;72.25,-46.12,;74.41,-47.97,;75.55,-46.94,;75.23,-45.44,;77.02,-47.42,;78.15,-46.39,;79.61,-46.86,;79.94,-48.37,;78.79,-49.4,;77.34,-48.92,;68.16,-47.25,;68.17,-48.78,;66.83,-49.55,;66.83,-51.09,;68.17,-51.86,;69.5,-51.08,;69.5,-49.55,;70.83,-48.77,)| Show InChI InChI=1S/C24H21FN6O/c1-15-7-6-10-19(27-15)23-30-29-22(31(23)21-11-3-2-8-18(21)25)16-13-17(14-16)28-24(32)20-9-4-5-12-26-20/h2-12,16-17H,13-14H2,1H3,(H,28,32)/t16-,17- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/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 | |