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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Prolyl endopeptidase | ||
| Ligand | BDBM50051513 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_158381 (CHEMBL769582) | ||
| IC50 | 3.1±n/a nM | ||
| Citation |  Portevin, B; Benoist, A; Rémond, G; Hervé, Y; Vincent, M; Lepagnol, J; De Nanteuil, G New prolyl endopeptidase inhibitors: in vitro and in vivo activities of azabicyclo[2.2.2]octane, azabicyclo[2.2.1]heptane, and perhydroindole derivatives. J Med Chem39:2379-91 (1996) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Prolyl endopeptidase | |||
| Name: | Prolyl endopeptidase | ||
| Synonyms: | PPCE_RAT | Prep | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 80731.99 | ||
| Organism: | Rattus norvegicus | ||
| Description: | ChEMBL_1336163 | ||
| Residue: | 710 | ||
| Sequence: |
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| BDBM50051513 | |||
| n/a | |||
| Name | BDBM50051513 | ||
| Synonyms: | ((1R,2S)-2-Phenyl-cyclopropyl)-[(S)-3-(thiazolidine-3-carbonyl)-2-aza-bicyclo[2.2.2]oct-2-yl]-methanone | CHEMBL306119 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H26N2O2S | ||
| Mol. Mass. | 370.508 | ||
| SMILES | O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@@H]1C[C@@H]1c1ccccc1)N1CCSC1 |wU:12.13,2.1,14.17,(12.4,-6.2,;11.07,-5.43,;9.73,-6.18,;8.4,-5.41,;7.07,-6.18,;7.07,-7.72,;8.4,-8.5,;9.1,-6.34,;7.62,-6.74,;9.73,-7.72,;11.07,-8.52,;12.4,-7.75,;11.07,-10.06,;10.3,-11.39,;11.84,-11.39,;13.17,-12.17,;13.17,-13.71,;14.5,-14.46,;15.84,-13.69,;15.84,-12.14,;14.5,-11.37,;11.08,-3.89,;12.31,-2.98,;11.84,-1.5,;10.3,-1.48,;9.8,-2.95,)| | ||
| Structure | 
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