Reaction Details | |||
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Target | Poly [ADP-ribose] polymerase tankyrase-2 | ||
Ligand | BDBM50579974 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2146090 (CHEMBL5030370) | ||
IC50 | 2.0±n/a nM | ||
Citation | Leenders, RGG; Brinch, SA; Sowa, ST; Amundsen-Isaksen, E; Galera-Prat, A; Murthy, S; Aertssen, S; Smits, JN; Nieczypor, P; Damen, E; Wegert, A; Nazaré, M; Lehtiö, L; Waaler, J; Krauss, S Development of a 1,2,4-Triazole-Based Lead Tankyrase Inhibitor: Part II. J Med Chem64:17936-17949 (2021) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Poly [ADP-ribose] polymerase tankyrase-2 | |||
Name: | Poly [ADP-ribose] polymerase tankyrase-2 | ||
Synonyms: | (ARTD6 or PARP5b) | PARP5B | Poly [ADP-ribose] polymerase tankyrase-2 | TANK2 | TNKL | TNKS2 | TNKS2_HUMAN | TPoly [ADP-ribose] polymerase tankyrase-2 | Tankyrase 2 | Tankyrase II | Tankyrase-2 | Tankyrase-2 (TNKS-2) | Tankyrase-2 (TNKS2) | ||
Type: | Enzyme | ||
Mol. Mass.: | 126937.16 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q9H2K2 | ||
Residue: | 1166 | ||
Sequence: |
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BDBM50579974 | |||
n/a | |||
Name | BDBM50579974 | ||
Synonyms: | CHEMBL5090849 | US20230322721, Example 154 of WO 2019/243822 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H24FN7O2 | ||
Mol. Mass. | 509.5343 | ||
SMILES | CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3nccnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(1.18,-57.78,;2.08,-56.54,;3.59,-56.7,;4.49,-55.47,;6.01,-55.63,;6.9,-54.39,;6.29,-53.01,;4.77,-52.84,;3.87,-54.07,;7.18,-51.78,;6.71,-50.31,;7.95,-49.39,;9.21,-50.31,;10.68,-49.82,;12.05,-50.53,;12.76,-49.16,;11.38,-48.45,;14.23,-48.68,;14.56,-47.17,;13.41,-46.13,;16.03,-46.68,;16.34,-45.17,;17.81,-44.69,;18.97,-45.72,;18.65,-47.24,;19.79,-48.27,;19.48,-49.77,;18,-50.26,;16.86,-49.22,;17.18,-47.72,;8.73,-51.78,;9.63,-53.02,;9,-54.41,;9.9,-55.64,;11.41,-55.48,;12.03,-54.08,;11.13,-52.85,;11.75,-51.45,)| | ||
Structure |