Reaction Details |
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Target | Renin |
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Ligand | BDBM50036979 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_195973 (CHEMBL879243) |
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IC50 | 1.3±n/a nM |
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Citation | Boyd, SA; Fung, AK; Baker, WR; Mantei, RA; Stein, HH; Cohen, J; Barlow, JL; Klinghofer, V; Wessale, JL; Verburg, KM Nonpeptide renin inhibitors with good intraduodenal bioavailability and efficacy in dog. J Med Chem37:2991-3007 (1994) [PubMed] |
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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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BDBM50036979 |
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n/a |
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Name | BDBM50036979 |
Synonyms: | 1N-[3-cyanoimino(methylsulfanyl)methylaminopropyl]-5-[1-[1-benzyl-2-(4-methoxymethoxyhexahydro-1-pyridinyl)-2-oxo-(1S)-ethyloxy]-(1S)-pentylcarboxamido]-4-hydroxy-2-isopropyl-6-phenyl-(2S,4S,5S)-hexanamide | CHEMBL102923 |
Type | Small organic molecule |
Emp. Form. | C43H70N6O7S |
Mol. Mass. | 815.117 |
SMILES | CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCNC(SC)=NC#N |w:54.57| |
Structure |
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