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Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Renin | ||
| Ligand | BDBM50434423 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_962065 (CHEMBL2388033) | ||
| IC50 | 1.8±n/a nM | ||
| Citation |  Nakamura, Y; Fujimoto, T; Ogawa, Y; Namiki, H; Suzuki, S; Asano, M; Sugita, C; Mochizuki, A; Miyazaki, S; Tamaki, K; Nagai, Y; Inoue, S; Nagayama, T; Kato, M; Chiba, K; Takasuna, K; Nishi, T Lead optimization of 5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxyhexanamides to reduce a cardiac safety issue: discovery of DS-8108b, an orally active renin inhibitor. Bioorg Med Chem21:3175-96 (2013) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Renin | |||
| Name: | Renin | ||
| Synonyms: | Angiotensinogenase | REN | RENI_MACFA | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 45012.96 | ||
| Organism: | Macaca fascicularis | ||
| Description: | ChEMBL_979177 | ||
| Residue: | 406 | ||
| Sequence: |
| ||
| BDBM50434423 | |||
| n/a | |||
| Name | BDBM50434423 | ||
| Synonyms: | CHEMBL2387569 | ||
| 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)N[C@H]1C2CC3CC1C[C@@](O)(C3)C2 |r,wU:4.4,2.2,28.29,35.38,wD:6.6,TLB:32:33:38:30.31.37,32:31:28.33.34:38,36:35:28:30.32.31,THB:27:28:30.32.31:34.35.38,27:28:38:30.31.37,37:31:28:34.35.38,37:35:28:30.32.31,(14.52,-3.69,;13.18,-4.46,;13.18,-6,;11.84,-6.77,;10.51,-5.99,;10.51,-4.45,;9.18,-6.76,;7.84,-5.99,;9.17,-8.3,;7.84,-9.07,;6.5,-8.3,;5.16,-9.07,;3.83,-8.31,;5.17,-10.61,;6.51,-11.38,;7.83,-10.61,;9.32,-11.01,;8.23,-12.09,;3.84,-11.39,;2.5,-10.62,;1.17,-11.4,;1.17,-12.94,;2.5,-13.71,;3.84,-12.94,;5.18,-13.71,;14.51,-6.77,;14.51,-8.31,;15.85,-6,;17.18,-6.77,;18.38,-5.5,;19.7,-5.99,;21.1,-5.64,;20.09,-6.92,;18.68,-6.35,;18.68,-4.76,;19.71,-3.53,;19.7,-1.99,;21.11,-4.11,;18.37,-4.01,)| | ||
| Structure | 
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