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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 | ||
| Ligand | BDBM50541698 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1985233 (CHEMBL4618639) | ||
| IC50 | 127±n/a nM | ||
| Citation |  Waaler, J; Leenders, RGG; Sowa, ST; Alam Brinch, S; Lycke, M; Nieczypor, P; Aertssen, S; Murthy, S; Galera-Prat, A; Damen, E; Wegert, A; Nazaré, M; Lehtiö, L; Krauss, S Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J Med Chem63:6834-6846 (2020) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 | |||
| Name: | Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 | ||
| Synonyms: | Tankyrase 1/2 | ||
| Type: | n/a | ||
| Mol. Mass.: | n/a | ||
| Description: | ASSAY_ID of ChEMBL is 1985233 | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| 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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| Component 2 | |||
| Name: | Poly [ADP-ribose] polymerase tankyrase-1 | ||
| Synonyms: | (ARTD5 or PARP5a) | PARP5A | PARPL | Poly [ADP-ribose] polymerase 5 (PARP5) | Poly [ADP-ribose] polymerase tankyrase-1 | TIN1 | TINF1 | TNKS | TNKS1 | TNKS1_HUMAN | Tankyrase 1 | Tankyrase 1/2 | Tankyrase-1 | Tankyrase-1 (TNKS-1) | Tankyrase-1 (TNKS1) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 142058.03 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | O95271 | ||
| Residue: | 1327 | ||
| Sequence: |
| ||
| BDBM50541698 | |||
| n/a | |||
| Name | BDBM50541698 | ||
| Synonyms: | CHEMBL4635489 | US11926614, Example 25 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H17FN6OS | ||
| Mol. Mass. | 420.463 | ||
| SMILES | Fc1ccccc1-n1c(nnc1-c1nccs1)[C@H]1C[C@@H](C1)NC(=O)c1ccccn1 |r,wU:19.24,wD:17.19,(41.59,-20.45,;40.25,-21.22,;40.26,-22.76,;38.92,-23.54,;37.59,-22.76,;37.59,-21.23,;38.92,-20.46,;38.92,-18.92,;40.17,-18.02,;39.69,-16.55,;38.15,-16.55,;37.67,-18.02,;36.21,-18.49,;34.97,-17.59,;33.72,-18.49,;34.2,-19.96,;35.74,-19.95,;41.63,-18.49,;42.33,-19.87,;43.7,-19.17,;43,-17.8,;45.17,-19.65,;46.31,-18.62,;45.99,-17.11,;47.77,-19.09,;48.91,-18.06,;50.37,-18.53,;50.7,-20.04,;49.55,-21.07,;48.09,-20.6,)| | ||
| Structure | 
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