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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Renin | ||
| Ligand | BDBM50259423 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_501175 (CHEMBL975288) | ||
| IC50 | 6.8±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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| BDBM50259423 | |||
| n/a | |||
| Name | BDBM50259423 | ||
| Synonyms: | (1R,5S)-7-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phenyl}-3,9-diaza-bicyclo[3.3.1]non-6-ene-6-carboxylic acid(2-chloro-benzyl)-methyl-amide | CHEMBL504403 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C33H38ClN3O4 | ||
| Mol. Mass. | 576.126 | ||
| SMILES | COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CNC[C@@H](C1)N2)C(=O)N(C)Cc1ccccc1Cl |r,wU:22.31,wD:26.30,t:22,TLB:17:20:28:24.23.25,THB:29:21:28:24.23.25,(20.93,-3.9,;21.7,-2.57,;20.93,-1.23,;21.69,.1,;20.91,1.43,;19.37,1.41,;18.61,.08,;19.38,-1.23,;18.61,-2.57,;17.07,-2.57,;16.31,-3.91,;14.77,-3.92,;14.01,-5.26,;12.47,-5.26,;11.7,-6.6,;12.48,-7.93,;11.71,-9.27,;10.17,-9.27,;9.4,-7.95,;10.15,-6.61,;9.2,-9.62,;8.22,-10.03,;8.94,-11.53,;10.75,-11.86,;11.86,-11.24,;11.32,-12.71,;9.6,-12.37,;9.89,-11.01,;8.4,-13,;6.68,-9.97,;5.96,-8.61,;5.86,-11.28,;6.58,-12.64,;4.32,-11.22,;3.5,-12.52,;4.23,-13.87,;3.42,-15.18,;1.88,-15.13,;1.15,-13.77,;1.97,-12.46,;1.25,-11.1,)| | ||
| Structure | 
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