Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50014081
Substrate
n/a
Meas. Tech.
ChEMBL_195943 (CHEMBL801669)
pH
7.4±n/a
IC50
1.1±n/a nM
Comments
extracted
Citation
 Rosenberg, SH; Woods, KW; Sham, HL; Kleinert, HD; Martin, DL; Stein, H; Cohen, J; Egan, DA; Bopp, B; Merits, I Water-soluble renin inhibitors: design of a subnanomolar inhibitor with a prolonged duration of action. J Med Chem 33:1962-9 (1990) [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:
BDBM50014081
Synonyms:
(R)-2-Benzyl-N*1*-[(S)-1-[(1S,2R)-1-cyclohexylmethyl-2-((S)-3-ethyl-2-oxo-oxazolidin-5-yl)-2-hydroxy-ethylcarbamoyl]-2-(3H-imidazol-4-yl)-ethyl]-N*4*-(2-methoxymethoxy-ethyl)-N*4*-methyl-succinamide | CHEMBL299055
Type:
Small organic molecule
Emp. Form.:
C36H54N6O8
Mol. Mass.:
698.8494
SMILES:
CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N(C)CCOCOC)Cc1ccccc1
Structure:
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