Reaction Details |
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Target | Renin |
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Ligand | BDBM50016025 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_192730 |
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IC50 | 61±n/a nM |
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Citation | Kaltenbronn, JS; Hudspeth, JP; Lunney, EA; Michniewicz, BM; Nicolaides, ED; Repine, JT; RoarK, WH; Stier, MA; Tinney, FJ; Woo, PK Renin inhibitors containing isosteric replacements of the amide bond connecting the P3 and P2 sites. J Med Chem33:838-45 (1990) [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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BDBM50016025 |
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n/a |
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Name | BDBM50016025 |
Synonyms: | CHEMBL354821 | {1-Benzyl-4-[3-(1-benzylcarbamoyl-3-methyl-butylcarbamoyl)-1-cyclohexylmethyl-2-hydroxy-propylcarbamoyl]-2-hydroxy-butyl}-carbamic acid tert-butyl ester : (0.45 chloroform) |
Type | Small organic molecule |
Emp. Form. | C41H62N4O7 |
Mol. Mass. | 722.9536 |
SMILES | CC(C)C[C@H](NC(=O)C[C@@H](O)C(CC1CCCCC1)NC(=O)CCC(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 |
Structure |
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