Reaction Details |
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Target | Renin |
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Ligand | BDBM50036982 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_192907 (CHEMBL795268) |
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IC50 | 420±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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BDBM50036982 |
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n/a |
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Name | BDBM50036982 |
Synonyms: | (2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-oxo-ethylamino]-hexanoylamino}-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid [3-(4-oxy-morpholin-4-yl)-propyl]-amide | CHEMBL101181 |
Type | Small organic molecule |
Emp. Form. | C44H75N5O8 |
Mol. Mass. | 802.095 |
SMILES | CCCC[C@H](N[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)NCCC[N+]1([O-])CCOCC1 |
Structure |
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