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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Renin | ||
| Ligand | BDBM50259447 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_501175 (CHEMBL975288) | ||
| IC50 | 4.9±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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| BDBM50259447 | |||
| n/a | |||
| Name | BDBM50259447 | ||
| Synonyms: | (1R,5S)-3-Acetyl-7-{4-[2-(2-chloro-phenoxy)-ethoxy]-phenyl}-3,9-diaza-bicyclo[3.3.1]non-6-ene-6-carboxylic acid cyclopropyl-(2,3-dichloro-benzyl)-amide | CHEMBL470878 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H34Cl3N3O4 | ||
| Mol. Mass. | 655.01 | ||
| SMILES | CC(=O)N1C[C@H]2CC(=C([C@@H](C1)N2)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1)c1ccc(OCCOc2ccccc2Cl)cc1 |r,wU:9.11,wD:5.12,c:7,(13.19,-10.07,;11.82,-9.35,;11.76,-7.81,;10.52,-10.18,;9.98,-11.65,;8.26,-11.31,;8.67,-9.91,;8.26,-8.98,;6.88,-8.96,;7.6,-10.47,;9.41,-10.8,;7.07,-11.94,;5.34,-8.91,;4.62,-7.55,;4.52,-10.21,;2.98,-10.16,;2.17,-11.46,;2.9,-12.81,;2.08,-14.12,;.54,-14.07,;-.18,-12.7,;-1.72,-12.65,;.63,-11.4,;-.08,-10.04,;5.25,-11.57,;5.2,-13.11,;6.56,-12.39,;8.84,-8.2,;10.38,-8.2,;11.14,-6.87,;10.37,-5.54,;11.13,-4.2,;12.67,-4.19,;13.44,-2.85,;14.98,-2.85,;15.74,-1.51,;14.97,-.19,;15.73,1.13,;17.28,1.15,;18.05,-.18,;17.29,-1.51,;18.06,-2.85,;8.82,-5.55,;8.06,-6.88,)| | ||
| Structure | 
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