Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-2' and Ligand = 'BDBM50579972' 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)) | BDBM50579972
(CHEMBL5091214 | US11926614, Example 84)Show SMILES CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccc(C)s1 |r,wU:15.18,wD:13.13,(36.79,-41.23,;37.68,-40,;39.2,-40.16,;40.1,-38.92,;41.62,-39.08,;42.51,-37.85,;41.89,-36.46,;40.37,-36.3,;39.48,-37.53,;42.79,-35.24,;42.31,-33.76,;43.56,-32.85,;44.82,-33.76,;46.29,-33.28,;47.66,-33.98,;48.37,-32.61,;46.99,-31.9,;49.84,-32.13,;50.17,-30.62,;49.01,-29.58,;51.64,-30.14,;51.95,-28.62,;53.42,-28.14,;54.58,-29.17,;54.26,-30.69,;55.4,-31.72,;55.08,-33.23,;56.22,-34.24,;53.61,-33.71,;52.46,-32.68,;52.79,-31.17,;44.34,-35.24,;45.23,-36.47,;44.76,-37.92,;45.99,-38.82,;47.23,-37.92,;48.68,-38.39,;46.76,-36.47,)| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 1.60 | 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)) | BDBM50579972
(CHEMBL5091214 | US11926614, Example 84)Show SMILES CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccc(C)s1 |r,wU:15.18,wD:13.13,(36.79,-41.23,;37.68,-40,;39.2,-40.16,;40.1,-38.92,;41.62,-39.08,;42.51,-37.85,;41.89,-36.46,;40.37,-36.3,;39.48,-37.53,;42.79,-35.24,;42.31,-33.76,;43.56,-32.85,;44.82,-33.76,;46.29,-33.28,;47.66,-33.98,;48.37,-32.61,;46.99,-31.9,;49.84,-32.13,;50.17,-30.62,;49.01,-29.58,;51.64,-30.14,;51.95,-28.62,;53.42,-28.14,;54.58,-29.17,;54.26,-30.69,;55.4,-31.72,;55.08,-33.23,;56.22,-34.24,;53.61,-33.71,;52.46,-32.68,;52.79,-31.17,;44.34,-35.24,;45.23,-36.47,;44.76,-37.92,;45.99,-38.82,;47.23,-37.92,;48.68,-38.39,;46.76,-36.47,)| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.60 | 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 | |