Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50012251
Substrate
n/a
Meas. Tech.
ChEBML_192887
IC50
0.230000±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 
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:
BDBM50012251
Synonyms:
2-{2-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-[2-(morpholine-4-sulfonylamino)-3-phenyl-propionylamino]-acetylamino}-3-(1H-imidazol-4-yl)-propionic acid | CHEMBL292677
Type:
Small organic molecule
Emp. Form.:
C36H55N7O10S
Mol. Mass.:
777.928
SMILES:
CC(C)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(Cc1cnc[nH]1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: