| Reaction Details |
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 | Report a problem with these data |
| Target | Renin |
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| Ligand | BDBM50003178 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_195749 |
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| pH | 7.4±n/a |
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| IC50 | 600±n/a nM |
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| Comments | extracted |
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| Citation |  Weber, AE; Steiner, MG; Krieter, PA; Colletti, AE; Tata, JR; Halgren, TA; Ball, RG; Doyle, JJ; Schorn, TW; Stearns, RA Highly potent, orally active diester macrocyclic human renin inhibitors. J Med Chem35:3755-73 (1992) [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 |
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| Synonyms: | Angiotensinogenase | REN | RENI_HUMAN |
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| Type: | Enzyme |
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| Mol. Mass.: | 45058.99 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 406 |
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| Sequence: | MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEW
SQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRL
YTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEM
PALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGG
QIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISG
STSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKK
LCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
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| BDBM50003178 |
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| n/a |
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| Name | BDBM50003178 |
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| Synonyms: | (diastereomer-1)[1-(3-Butyl-7-cyclohexylmethyl-6-hydroxy-5,9,13-trioxo-1,4-dioxa-8-aza-cyclotridec-10-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester | (diastereomer-2)[1-(3-Butyl-7-cyclohexylmethyl-6-hydroxy-5,9,13-trioxo-1,4-dioxa-8-aza-cyclotridec-10-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester | CHEMBL279862 |
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| Type | Small organic molecule |
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| Emp. Form. | C35H53N3O9 |
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| Mol. Mass. | 659.81 |
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| SMILES | CCCCC1COC(=O)CC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 |
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| Structure | 
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