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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Renin | ||
| Ligand | BDBM50259425 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_501174 (CHEMBL975287) | ||
| IC50 | 122±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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| BDBM50259425 | |||
| n/a | |||
| Name | BDBM50259425 | ||
| Synonyms: | (1R,5S)-3-Acetyl-7-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-3,9-diaza-bicyclo[3.3.1]non-6-ene-6-carboxylic acid benzyl-methyl-amide | CHEMBL505760 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C35H41N3O5 | ||
| Mol. Mass. | 583.7171 | ||
| SMILES | COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CN(C[C@@H](C1)N2)C(C)=O)C(=O)N(C)Cc1ccccc1 |r,wU:22.31,wD:26.30,t:22,TLB:17:20:28:24.23.25,29:24:28:21.20.27,THB:32:21:28:24.23.25,(19.94,-3.73,;20.7,-2.4,;19.93,-1.06,;20.7,.27,;19.92,1.6,;18.37,1.58,;17.61,.25,;18.38,-1.06,;17.62,-2.4,;16.08,-2.4,;15.32,-3.74,;13.78,-3.75,;13.01,-5.09,;11.47,-5.09,;10.71,-6.43,;11.48,-7.76,;10.72,-9.1,;9.18,-9.1,;8.4,-7.78,;9.16,-6.44,;8.38,-9.45,;7.22,-9.86,;7.94,-11.36,;9.75,-11.7,;10.86,-11.07,;10.32,-12.54,;8.6,-12.2,;8.9,-10.66,;7.41,-12.83,;12.16,-10.25,;13.52,-10.96,;12.1,-8.71,;5.68,-9.8,;4.96,-8.44,;4.86,-11.11,;5.59,-12.47,;3.33,-11.05,;2.51,-12.36,;.97,-12.29,;.16,-13.6,;.88,-14.96,;2.43,-15.01,;3.24,-13.7,)| | ||
| Structure | 
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