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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 | ||
| Ligand | BDBM50541694 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1985233 (CHEMBL4618639) | ||
| IC50 | 0.630000±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: |
| ||
| 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: |
| ||
| BDBM50541694 | |||
| n/a | |||
| Name | BDBM50541694 | ||
| Synonyms: | CHEMBL4643964 | US11926614, Example 55 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H24FN7O2 | ||
| Mol. Mass. | 509.5343 | ||
| SMILES | CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cccnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(2.01,-4.77,;3.48,-4.3,;4.62,-5.33,;6.09,-4.85,;7.24,-5.88,;8.7,-5.4,;9.02,-3.9,;7.87,-2.87,;6.41,-3.34,;10.48,-3.42,;10.95,-1.96,;12.49,-1.96,;12.97,-3.42,;14.43,-3.9,;15.13,-5.28,;16.5,-4.58,;15.8,-3.21,;17.97,-5.06,;19.11,-4.02,;18.79,-2.52,;20.58,-4.5,;21.71,-3.47,;23.17,-3.94,;23.5,-5.45,;22.35,-6.48,;22.67,-7.97,;21.54,-9,;20.08,-8.53,;19.76,-7.03,;20.89,-6.01,;11.72,-4.33,;11.73,-5.87,;10.39,-6.64,;10.39,-8.17,;11.72,-8.95,;13.06,-8.17,;13.06,-6.63,;14.39,-5.86,)| | ||
| Structure | 
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