Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50009890
Substrate
n/a
Meas. Tech.
ChEMBL_192728 (CHEMBL801755)
IC50
49±n/a nM
Citation
Doherty, AM; Kaltenbronn, JS; Hudspeth, JP; Repine, JT; Roark, WH; Sircar, I; Tinney, FJ; Connolly, CJ; Hodges, JC; Taylor, MD New inhibitors of human renin that contain novel replacements at the P2 site. J Med Chem 34:1258-71 (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:
BDBM50009890
Synonyms:
1N-(1-benzylcarbamoyl-3-methylbutyl)-4-{5-amino(cyano)(imino)methylamino-1-[2-(1-naphthyl)-1-(1-naphthylmethyl)ethylcarboxamido]pentylcarboxamido}-3-hydroxy-6-methyl-(3S,4R)-heptanamide | CHEMBL281366
Type:
Small organic molecule
Emp. Form.:
C52H66N8O7
Mol. Mass.:
915.1298
SMILES:
CC(C)CC(NC(=O)C(CCCCNC(=N)N[N+]([O-])=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)[C@@H](O)CC(=O)NC(CC(C)C)C(=O)NCc1ccccc1