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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Renin | ||
| Ligand | BDBM50259454 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_501175 (CHEMBL975288) | ||
| IC50 | 0.79±n/a nM | ||
| Citation |  Bezençon, O; Bur, D; Weller, T; Richard-Bildstein, S; Remen, L; Sifferlen, T; Corminboeuf, O; Grisostomi, C; Boss, C; Prade, L; Delahaye, S; Treiber, A; Strickner, P; Binkert, C; Hess, P; Steiner, B; Fischli, W Design and preparation of potent, nonpeptidic, bioavailable renin inhibitors. J Med Chem52:3689-702 (2009) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Renin | |||
| Name: | Renin | ||
| Synonyms: | Angiotensinogenase | REN | RENI_HUMAN | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 45058.99 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | n/a | ||
| Residue: | 406 | ||
| Sequence: |
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| BDBM50259454 | |||
| n/a | |||
| Name | BDBM50259454 | ||
| Synonyms: | (1R,5S)-3-Acetyl-7-{4-[2-(2,3,6-trifluoro-phenoxy)-ethoxy]-phenyl}-3,9-diaza-bicyclo[3.3.1]non-6-ene-6-carboxylic acid cyclopropyl-(2,3-dichloro-benzyl)-amide | CHEMBL475671 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H32Cl2F3N3O4 | ||
| Mol. Mass. | 674.537 | ||
| SMILES | CC(=O)N1C[C@H]2CC(=C([C@@H](C1)N2)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1)c1ccc(OCCOc2c(F)ccc(F)c2F)cc1 |r,wU:9.11,wD:5.12,c:7,(14.43,-10.15,;13.07,-9.44,;13,-7.9,;11.76,-10.26,;11.22,-11.73,;9.51,-11.39,;9.9,-9.97,;9.6,-9.03,;8.13,-9.05,;8.84,-10.56,;10.65,-10.89,;8.31,-12.02,;6.59,-8.99,;5.86,-7.63,;5.77,-10.3,;4.23,-10.24,;3.41,-11.55,;4.14,-12.9,;3.33,-14.2,;1.78,-14.15,;1.06,-12.79,;-.48,-12.73,;1.88,-11.48,;1.16,-10.12,;6.49,-11.66,;6.44,-13.2,;7.8,-12.47,;10.08,-8.29,;11.62,-8.29,;12.39,-6.95,;11.61,-5.62,;12.38,-4.28,;13.92,-4.28,;14.68,-2.94,;16.22,-2.93,;16.98,-1.59,;18.53,-1.6,;19.3,-2.93,;19.3,-.26,;18.52,1.06,;16.97,1.04,;16.19,2.37,;16.22,-.28,;14.68,-.29,;10.06,-5.63,;9.3,-6.97,)| | ||
| Structure | 
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