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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Renin | ||
| Ligand | BDBM50259461 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_501175 (CHEMBL975288) | ||
| IC50 | 0.67±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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| BDBM50259461 | |||
| n/a | |||
| Name | BDBM50259461 | ||
| Synonyms: | (1R,5S)-7-{2-[2-(2,6-Dichloro-4-methyl-phenoxy)-ethoxy]-thiazol-5-yl}-3,9-diaza-bicyclo[3.3.1]-non-6-ene-6-carboxylic acid cyclopropyl-(2,3-dimethyl-benzyl)-amide | CHEMBL505635 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C32H36Cl2N4O3S | ||
| Mol. Mass. | 627.624 | ||
| SMILES | Cc1cc(Cl)c(OCCOc2ncc(s2)C2=C([C@H]3CNC[C@@H](C2)N3)C(=O)N(Cc2cccc(C)c2C)C2CC2)c(Cl)c1 |r,wU:17.25,wD:21.24,t:16,(14.59,4.14,;14.18,2.66,;15.26,1.56,;14.85,.08,;15.93,-1.02,;13.36,-.31,;12.95,-1.79,;14.03,-2.89,;13.63,-4.37,;14.71,-5.47,;14.3,-6.95,;15.26,-8.16,;14.41,-9.44,;12.93,-9.03,;12.86,-7.5,;11.75,-9.5,;10.53,-9.42,;11.25,-10.93,;13.06,-11.26,;14.17,-10.63,;13.63,-12.11,;11.92,-11.76,;12.51,-10.38,;10.72,-12.39,;9,-9.36,;8.27,-8,;8.18,-10.67,;6.64,-10.61,;5.82,-11.92,;6.55,-13.27,;5.74,-14.57,;4.19,-14.52,;3.47,-13.16,;1.93,-13.1,;4.29,-11.86,;3.57,-10.49,;8.9,-12.03,;8.85,-13.57,;10.21,-12.84,;12.28,.78,;10.79,.39,;12.68,2.26,)| | ||
| Structure | 
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