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Target
Renin
Ligand
BDBM50012257
Substrate
n/a
Meas. Tech.
ChEBML_192887
IC50
0.790000±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:
BDBM50012257
Synonyms:
CHEMBL299252 | N-[1-Cyclohexylmethyl-3,3-difluoro-3-(2-morpholin-4-yl-ethylcarbamoyl)-2-oxo-propyl]-2-[2-(morpholine-4-sulfonylamino)-3-phenyl-propionylamino]-malonamic acid methyl ester
Type:
Small organic molecule
Emp. Form.:
C34H50F2N6O10S
Mol. Mass.:
772.857
SMILES:
COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
Structure:
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