Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50012253
Substrate
n/a
Meas. Tech.
ChEBML_192887
IC50
15±n/a nM
Citation
Repine, JT; Himmelsbach, RJ; Hodges, JC; Kaltenbronn, JS; Sircar, I; Skeean, RW; Brennan, ST; Hurley, TR; Lunney, E; Humblet, CC Renin inhibitors containing esters at the P2-position. Oral activity in a derivative of methyl aminomalonate. J Med Chem 34:1935-43 (1991) [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:
BDBM50012253
Synonyms:
CHEMBL56982 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl)-2-[2-(morpholine-4-sulfonylamino)-3-phenyl-propionylamino]-malonamic acid hexyl ester
Type:
Small organic molecule
Emp. Form.:
C36H60N4O9S
Mol. Mass.:
724.948
SMILES:
CCCCCCOC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C