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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 | ||
| Ligand | BDBM50541717 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1985233 (CHEMBL4618639) | ||
| IC50 | 0.048000±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: |
| ||
| BDBM50541717 | |||
| n/a | |||
| Name | BDBM50541717 | ||
| Synonyms: | CHEMBL4646640 | US11926614, Example 5 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H19ClN8O | ||
| Mol. Mass. | 482.924 | ||
| SMILES | Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)NC(=O)c1ccnc2cccnc12 |r,wU:20.25,wD:18.20,(11.34,-6.67,;10,-7.45,;10,-8.99,;8.66,-9.76,;7.32,-8.99,;7.32,-7.45,;8.66,-6.68,;8.66,-5.14,;9.91,-4.23,;9.44,-2.76,;7.89,-2.76,;7.41,-4.23,;5.95,-4.71,;5.63,-6.21,;4.17,-6.69,;3.01,-5.66,;3.34,-4.15,;4.81,-3.67,;11.38,-4.71,;12.08,-6.09,;13.45,-5.38,;12.76,-4.01,;14.92,-5.87,;16.07,-4.84,;15.75,-3.34,;17.53,-5.32,;18.66,-4.3,;20.12,-4.77,;20.44,-6.28,;19.29,-7.3,;19.6,-8.79,;18.47,-9.81,;17.01,-9.34,;16.7,-7.84,;17.84,-6.82,)| | ||
| Structure | 
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