Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50046770
Substrate
n/a
Meas. Tech.
ChEMBL_195746 (CHEMBL801598)
pH
7.4±n/a
IC50
25±n/a nM
Comments
extracted
Citation
Rosenberg, SH; Spina, KP; Woods, KW; Polakowski, J; Martin, DL; Yao, Z; Stein, HH; Cohen, J; Barlow, JL; Egan, DA Studies directed toward the design of orally active renin inhibitors. 1. Some factors influencing the absorption of small peptides. J Med Chem 36:449-59 (1993) [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:
BDBM50046770
Synonyms:
2-[2-Benzyl-4-(4-methyl-piperazin-1-yl)-4-oxo-butyrylamino]-hexanoic acid (1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl)-amide | CHEMBL343782
Type:
Small organic molecule
Emp. Form.:
C36H60N4O5
Mol. Mass.:
628.8854
SMILES:
CCCC[C@H](NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C