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Target
Renin
Ligand
BDBM50036972
Substrate
n/a
Meas. Tech.
ChEMBL_195974 (CHEMBL807522)
pH
7.4±n/a
IC50
2.8±n/a nM
Comments
extracted
Citation
 Boyd, SA; Fung, AK; Baker, WR; Mantei, RA; Stein, HH; Cohen, J; Barlow, JL; Klinghofer, V; Wessale, JL; Verburg, KM Nonpeptide renin inhibitors with good intraduodenal bioavailability and efficacy in dog. J Med Chem 37:2991-3007 (1994) [PubMed]  Article 
Target
Name:
Renin
Synonyms:
Angiotensinogenase | REN | RENI_HUMAN
Type:
Enzyme
Mol. Mass.:
45058.99
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
406
Sequence:
MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEWSQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
  
Inhibitor
Name:
BDBM50036972
Synonyms:
(2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-oxo-ethoxy]-hexanoylamino}-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid (2-ureido-ethyl)-amide | CHEMBL320630
Type:
Small organic molecule
Emp. Form.:
C40H67N5O8
Mol. Mass.:
745.9887
SMILES:
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCNC(N)=O
Structure:
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