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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Renin | ||
| Ligand | BDBM50259451 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_501175 (CHEMBL975288) | ||
| IC50 | 4.6±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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| BDBM50259451 | |||
| n/a | |||
| Name | BDBM50259451 | ||
| Synonyms: | (1R,5S)-3-Acetyl-7-{4-[2-(2-bromo-5-fluoro-phenoxy)-ethoxy]-phenyl}-3,9-diaza-bicyclo[3.3.1]-non-6-ene-6-carboxylic acid cyclopropyl-(2,3-dichloro-benzyl)-amide | CHEMBL449505 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H33BrCl2FN3O4 | ||
| Mol. Mass. | 717.452 | ||
| SMILES | CC(=O)N1C[C@H]2CC(=C([C@@H](C1)N2)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1)c1ccc(OCCOc2cc(F)ccc2Br)cc1 |r,wU:9.11,wD:5.12,c:7,(14.57,-10.58,;13.21,-9.87,;13.15,-8.33,;11.91,-10.69,;11.37,-12.16,;9.65,-11.82,;10.01,-10.26,;9.72,-9.45,;8.27,-9.48,;8.99,-10.98,;10.8,-11.31,;8.46,-12.45,;6.73,-9.42,;6.01,-8.06,;5.91,-10.72,;4.38,-10.67,;3.56,-11.97,;4.29,-13.32,;3.48,-14.63,;1.93,-14.58,;1.21,-13.22,;-.33,-13.16,;2.02,-11.91,;1.31,-10.55,;6.64,-12.09,;6.59,-13.62,;7.95,-12.9,;10.23,-8.72,;11.77,-8.72,;12.53,-7.38,;11.76,-6.05,;12.52,-4.71,;14.06,-4.71,;14.83,-3.37,;16.37,-3.36,;17.13,-2.02,;18.68,-2.03,;19.44,-.69,;20.98,-.69,;18.67,.63,;17.12,.61,;16.36,-.71,;14.82,-.72,;10.21,-6.06,;9.45,-7.39,)| | ||
| Structure | 
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