| Reaction Details |
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 | Report a problem with these data |
| Target | Renin |
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| Ligand | BDBM50046796 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_195959 (CHEMBL879242) |
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| pH | 7.4±n/a |
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| IC50 | 0.87±n/a nM |
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| Comments | extracted |
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| Citation |  Rosenberg, SH; Spina, KP; Condon, SL; Polakowski, J; Yao, Z; Kovar, P; Stein, HH; Cohen, J; Barlow, JL; Klinghofer, V Studies directed toward the design of orally active renin inhibitors. 2. Development of the efficacious, bioavailable renin inhibitor (2S)-2-benzyl-3- [[(1-methylpiperazin-4-yl)sulfonyl]propionyl]-3-thiazol-4-yl-L-alanine amide of (2S,3R,4S)-2-amino-1-cyclohexyl-3,4-dihydroxy-6-methylheptane (A-725 J Med Chem36:460-7 (1993) [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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| BDBM50046796 |
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| n/a |
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| Name | BDBM50046796 |
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| Synonyms: | (S)-N-[(S)-1-((1S,2R,3S)-1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-thiazol-4-yl-ethyl]-2-(2-methyl-propane-2-sulfonylmethyl)-3-phenyl-propionamide | 2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-thiazol-4-yl-ethyl]-3-(2-methyl-propane-2-sulfonyl)-propionamide | CHEMBL279780 |
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| Type | Small organic molecule |
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| Emp. Form. | C34H53N3O6S2 |
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| Mol. Mass. | 663.931 |
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| SMILES | CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C |
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| Structure | 
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