Reaction Details | |||
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Report a problem with these data | |||
Target | Renin | ||
Ligand | BDBM50392953 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_853459 (CHEMBL2155356) | ||
IC50 | 0.9±n/a nM | ||
Citation | Nakamura, Y; Fujimoto, T; Ogawa, Y; Sugita, C; Miyazaki, S; Tamaki, K; Takahashi, M; Matsui, Y; Nagayama, T; Manabe, K; Mizuno, M; Masubuchi, N; Chiba, K; Nishi, T Discovery of DS-8108b, a Novel Orally Bioavailable Renin Inhibitor. ACS Med Chem Lett3:754-758 (2012) [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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BDBM50392953 | |||
n/a | |||
Name | BDBM50392953 | ||
Synonyms: | CHEMBL2152353 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H45ClN4O4 | ||
Mol. Mass. | 561.156 | ||
SMILES | CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NC1C2CC3CC1CC(O)(C3)C2 |r,wU:4.4,2.2,wD:6.6,TLB:38:35:28.29.30:32,36:35:28:30.31.32,27:28:34.38.35:30.31.32,27:28:32:34.35.37,THB:38:29:32:34.35.37,37:35:28:30.31.32,37:31:28:34.38.35,(13.51,-6.54,;12.17,-7.31,;12.17,-8.85,;10.84,-9.62,;9.51,-8.85,;9.51,-7.31,;8.17,-9.62,;6.84,-8.85,;8.17,-11.16,;6.84,-11.93,;5.5,-11.17,;4.16,-11.94,;2.83,-11.17,;4.18,-13.47,;5.51,-14.24,;6.84,-13.48,;7.61,-14.81,;8.38,-13.48,;2.85,-14.25,;1.51,-13.49,;.18,-14.26,;.18,-15.8,;1.52,-16.57,;2.85,-15.8,;4.19,-16.57,;13.51,-9.62,;13.51,-11.16,;14.84,-8.86,;16.17,-9.63,;17.67,-9.21,;17.67,-7.62,;18.71,-6.39,;17.36,-6.87,;17.37,-8.35,;18.7,-8.84,;20.09,-8.5,;21.42,-9.26,;20.1,-6.97,;19.08,-9.77,)| | ||
Structure |