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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Poly [ADP-ribose] polymerase tankyrase-2 | ||
| Ligand | BDBM50579960 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2146090 (CHEMBL5030370) | ||
| IC50 | 4.6±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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| BDBM50579960 | |||
| n/a | |||
| Name | BDBM50579960 | ||
| Synonyms: | CHEMBL5078506 | US11926614, Example 81 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H24N6O2S | ||
| Mol. Mass. | 460.551 | ||
| SMILES | CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccc(C)s1 |r,wU:15.18,wD:13.13,(2.55,-58.18,;3.45,-56.94,;4.98,-57.1,;5.88,-55.86,;7.42,-56.02,;8.31,-54.78,;7.69,-53.39,;6.16,-53.22,;5.26,-54.46,;8.59,-52.15,;8.12,-50.68,;9.36,-49.77,;10.61,-50.68,;12.07,-50.2,;13.45,-50.91,;14.15,-49.53,;12.78,-48.83,;15.62,-49.06,;15.94,-47.55,;14.79,-46.51,;17.41,-47.07,;17.72,-45.56,;19.18,-45.08,;20.34,-46.11,;20.02,-47.62,;18.55,-48.1,;10.13,-52.15,;11.03,-53.4,;10.56,-54.86,;11.8,-55.76,;13.04,-54.86,;14.5,-55.33,;12.57,-53.4,)| | ||
| Structure | 
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