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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Renin | ||
| Ligand | BDBM50259446 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_501175 (CHEMBL975288) | ||
| IC50 | 8.5±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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| BDBM50259446 | |||
| n/a | |||
| Name | BDBM50259446 | ||
| Synonyms: | (1R,5S)-3-Acetyl-7-[4-(2-phenoxy-ethoxy)-phenyl]-3,9-diaza-bicyclo[3.3.1]non-6-ene-6-carboxylic acid cyclo-propyl-(2,3-dichloro-benzyl)-amide | CHEMBL447104 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H35Cl2N3O4 | ||
| Mol. Mass. | 620.565 | ||
| SMILES | CC(=O)N1C[C@H]2CC(=C([C@@H](C1)N2)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1)c1ccc(OCCOc2ccccc2)cc1 |r,wU:9.11,wD:5.12,c:7,TLB:27:7:11:3.10.4,1:3:11:8.7.6,THB:12:8:11:3.10.4,(13.02,-9.18,;11.66,-8.47,;11.59,-6.93,;10.35,-9.29,;9.82,-10.76,;8.1,-10.42,;8.49,-9.21,;7.91,-8.65,;6.72,-8.08,;7.43,-9.58,;9.24,-9.91,;6.9,-11.05,;5.18,-8.02,;4.46,-6.66,;4.36,-9.32,;2.82,-9.27,;2,-10.57,;2.73,-11.92,;1.92,-13.23,;.37,-13.18,;-.35,-11.81,;-1.89,-11.76,;.47,-10.51,;-.25,-9.15,;5.08,-10.68,;5.03,-12.22,;6.39,-11.5,;8.67,-7.32,;10.21,-7.32,;10.98,-5.98,;10.2,-4.65,;10.97,-3.31,;12.51,-3.3,;13.27,-1.97,;14.81,-1.96,;15.58,-.62,;17.12,-.62,;17.89,.71,;17.11,2.04,;15.56,2.02,;14.81,.69,;8.65,-4.66,;7.9,-5.99,)| | ||
| Structure | 
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