| Reaction Details |
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 | Report a problem with these data |
| Target | Renin |
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| Ligand | BDBM50434435 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_962065 (CHEMBL2388033) |
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| IC50 | 3.4±n/a nM |
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| 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 |
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| More Info.: | Get all data from this article, Assay Method |
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| Renin |
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| Name: | Renin |
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| Synonyms: | Angiotensinogenase | REN | RENI_MACFA |
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| Type: | PROTEIN |
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| Mol. Mass.: | 45012.96 |
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| Organism: | Macaca fascicularis |
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| Description: | ChEMBL_979177 |
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| Residue: | 406 |
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| Sequence: | MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEW
SQPMKRLALGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRL
YTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEM
PALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNILSQGVLKEDVFSFYYNRDSENAQSLGG
QIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISG
STSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKK
LCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
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| BDBM50434435 |
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| n/a |
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| Name | BDBM50434435 |
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| Synonyms: | CHEMBL2387557 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H35ClFN5O3 |
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| Mol. Mass. | 520.039 |
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| SMILES | CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccc(F)cn1 |r| |
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| Structure | 
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