Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50006158
Substrate
n/a
Meas. Tech.
ChEMBL_195794 (CHEMBL802394)
pH
6±n/a
IC50
1000±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
More Info.:
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:
BDBM50006158
Synonyms:
2-[1-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-3-methyl-butylamino]-4-phenyl-butyric acid tert-butyl ester | CHEMBL49539
Type:
Small organic molecule
Emp. Form.:
C34H58N2O5
Mol. Mass.:
574.8347
SMILES:
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(CC(C)C)N[C@@H](CCc1ccccc1)C(=O)OC(C)(C)C