Reaction Details |
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Target | Renin |
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Ligand | BDBM50046803 |
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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 | 14±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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BDBM50046803 |
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n/a |
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Name | BDBM50046803 |
Synonyms: | 2-Benzyl-N*1*-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-imidazol-1-yl-ethyl]-N*4*-methyl-N*4*-(2-pyridin-2-yl-ethyl)-succinamide | CHEMBL358724 |
Type | Small organic molecule |
Emp. Form. | C39H56N6O5 |
Mol. Mass. | 688.8991 |
SMILES | CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cn1ccnc1)NC(=O)[C@@H](CC(=O)N(C)CCc1ccccn1)Cc1ccccc1 |
Structure |
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