Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50006146
Substrate
n/a
Meas. Tech.
ChEMBL_195794 (CHEMBL802394)
pH
6±n/a
IC50
160±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:
BDBM50006146
Synonyms:
2-[1-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-3-methyl-butylamino]-4-phenyl-butyric acid ethyl ester | CHEMBL46271
Type:
Small organic molecule
Emp. Form.:
C32H54N2O5
Mol. Mass.:
546.7816
SMILES:
CCOC(=O)C(CCc1ccccc1)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Structure:
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