Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50006190
Substrate
n/a
Meas. Tech.
ChEBML_195919
pH
6±n/a
IC50
17±n/a nM
Comments
extracted
Citation
 Boyd, SA; Fung, AK; Baker, WR; Mantei, RA; Armiger, YL; Stein, HH; Cohen, J; Egan, DA; Barlow, JL; Klinghofer, V C-terminal modifications of nonpeptide renin inhibitors: improved oral bioavailability via modification of physicochemical properties. J Med Chem 35:1735-46 (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:
BDBM50006190
Synonyms:
2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-oxo-ethoxy]-hexanoic acid [1-cyclohexylmethyl-2-hydroxy-5-methyl-4-(4-methyl-[1,4]diazepane-1-carbonyl)-hexyl]-amide | CHEMBL51935
Type:
Small organic molecule
Emp. Form.:
C43H72N4O7
Mol. Mass.:
757.0544
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)N1CCCN(C)CC1
Structure:
Search PDB for entries with ligand similarity: