Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50006153
Substrate
n/a
Meas. Tech.
ChEMBL_195793 (CHEMBL802393)
pH
7.4±n/a
IC50
1300±n/a nM
Comments
extracted
Citation
 Baker, WR; Fung, AK; Kleinert, HD; Stein, HH; Plattner, JJ; Armiger, YL; Condon, SL; Cohen, J; Egan, DA; Barlow, JL Nonpeptide renin inhibitors employing a novel 3-aza(or oxa)-2,4-dialkyl glutaric acid moiety as a P2/P3 amide bond replacement. J Med Chem 35:1722-34 (1992) [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:
BDBM50006153
Synonyms:
2-{1-Benzyl-2-[4-(2-methoxy-ethyl)-piperidin-1-yl]-2-oxo-ethoxy}-hexanoic acid (1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl)-amide | CHEMBL48762
Type:
Small organic molecule
Emp. Form.:
C37H62N2O6
Mol. Mass.:
630.898
SMILES:
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Structure:
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