Reaction Details |
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Target | Renin |
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Ligand | BDBM50011231 |
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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 | 8.1±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 |
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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BDBM50011231 |
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n/a |
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Name | BDBM50011231 |
Synonyms: | 2-Benzyl-N-{1-[1-cyclohexylmethyl-2-(3-ethyl-2-oxo-oxazolidin-5-yl)-2-hydroxy-ethylcarbamoyl]-2-thiazol-4-yl-ethyl}-4-morpholin-4-yl-4-oxo-butyramide | CHEMBL344272 |
Type | Small organic molecule |
Emp. Form. | C35H49N5O7S |
Mol. Mass. | 683.858 |
SMILES | CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 |
Structure |
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