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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Renin | ||
| Ligand | BDBM50259458 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_501175 (CHEMBL975288) | ||
| IC50 | 0.55±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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| BDBM50259458 | |||
| n/a | |||
| Name | BDBM50259458 | ||
| Synonyms: | (rac)-(1RS,5SR)-7-{4-[3-(2-Bromo-5-fluoro-phenoxy)-propyl]-phenyl}-3-(4-carbamoyl-butyryl)-3,9-diaza-bicyclo[3.3.1]non-6-ene-6-carboxylic acid(2-chloro-benzyl)-cyclopropyl-amide | CHEMBL503710 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C38H41BrCl2N4O4 | ||
| Mol. Mass. | 768.567 | ||
| SMILES | NC(=O)CCCC(=O)N1CC2CC(=C(C(C1)N2)C(=O)N(Cc1ccccc1Cl)C1CC1)c1ccc(CCCOc2cc(Cl)ccc2Br)cc1 |c:12,TLB:31:12:16:8.15.9,6:8:16:13.12.11,THB:17:13:16:8.15.9,(20.78,-8.86,;19.41,-8.14,;19.35,-6.6,;18.11,-8.96,;16.75,-8.25,;15.45,-9.07,;14.08,-8.36,;14.02,-6.82,;12.78,-9.18,;12.24,-10.65,;10.52,-10.31,;11,-8.86,;10.42,-7.98,;9.14,-7.97,;9.86,-9.47,;11.67,-9.8,;9.33,-10.94,;7.6,-7.91,;6.88,-6.55,;6.79,-9.21,;5.25,-9.16,;4.43,-10.46,;5.16,-11.81,;4.35,-13.12,;2.8,-13.07,;2.08,-11.7,;2.9,-10.4,;2.13,-9.07,;7.51,-10.58,;7.46,-12.11,;8.82,-11.39,;11.1,-7.21,;12.64,-7.21,;13.4,-5.87,;12.63,-4.54,;13.39,-3.2,;14.93,-3.19,;15.7,-1.86,;17.24,-1.85,;18,-.51,;19.55,-.52,;20.31,.82,;21.85,.82,;19.54,2.14,;17.99,2.13,;17.23,.8,;15.69,.79,;11.08,-4.55,;10.32,-5.88,)| | ||
| Structure | 
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