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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Renin | ||
| Ligand | BDBM50259460 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_501175 (CHEMBL975288) | ||
| IC50 | 1.8±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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| BDBM50259460 | |||
| n/a | |||
| Name | BDBM50259460 | ||
| Synonyms: | (rac)-(1RS,5SR)-3-(2-Hydroxy-acetyl)-7-{4-[3-(2,3,6-trifluoro-phenoxy)-propyl]-phenyl}-3,9-diaza-bicyclo[3.3.1]non-6-ene-6-carboxylic acid(2-chloro-benzyl)-cyclopropyl-amide | CHEMBL452191 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C35H35ClF3N3O4 | ||
| Mol. Mass. | 654.118 | ||
| SMILES | OCC(=O)N1CC2CC(=C(C(C1)N2)C(=O)N(Cc1ccccc1Cl)C1CC1)c1ccc(CCCOc2c(F)ccc(F)c2F)cc1 |c:8,TLB:27:8:12:4.11.5,2:4:12:9.8.7,THB:13:9:12:4.11.5,(15.7,-13.24,;15.63,-11.7,;14.27,-10.99,;14.21,-9.45,;12.97,-11.81,;12.43,-13.28,;10.71,-12.94,;11,-11.36,;10.6,-10.61,;9.33,-10.6,;10.05,-12.1,;11.86,-12.44,;9.52,-13.57,;7.79,-10.54,;7.07,-9.18,;6.97,-11.85,;5.43,-11.79,;4.62,-13.1,;5.35,-14.44,;4.54,-15.75,;2.99,-15.7,;2.27,-14.34,;3.08,-13.03,;2.31,-11.7,;7.7,-13.21,;7.64,-14.74,;9.01,-14.02,;11.29,-9.84,;12.82,-9.84,;13.59,-8.5,;12.82,-7.17,;13.58,-5.83,;15.12,-5.83,;15.88,-4.49,;17.42,-4.48,;18.19,-3.14,;19.74,-3.15,;20.51,-4.48,;20.5,-1.81,;19.72,-.49,;18.18,-.51,;17.41,.83,;17.42,-1.83,;15.88,-1.83,;11.27,-7.18,;10.51,-8.52,)| | ||
| Structure | 
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