Reaction Details |
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Target | Renin |
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Ligand | BDBM50434443 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_962066 (CHEMBL2388034) |
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IC50 | 2.4±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 |
Synonyms: | Angiotensinogenase | REN | RENI_HUMAN |
Type: | Enzyme |
Mol. Mass.: | 45058.99 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 406 |
Sequence: | MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEW
SQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRL
YTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEM
PALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGG
QIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISG
STSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKK
LCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
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BDBM50434443 |
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n/a |
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Name | BDBM50434443 |
Synonyms: | CHEMBL2387549 |
Type | Small organic molecule |
Emp. Form. | C27H38FN5O3 |
Mol. Mass. | 499.6207 |
SMILES | CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1C)C(=O)Nc1cccnc1 |r| |
Structure |
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