Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50025934
Substrate
n/a
Meas. Tech.
ChEMBL_196261 (CHEMBL803238)
Ki
0.064000±n/a nM
Citation
 Evans, BE; Rittle, KE; Bock, MG; Bennett, CD; DiPardo, RM; Boger, J; Poe, M; Ulm, EH; LaMont, BI; Blaine, EH A uniquely potent renin inhibitor and its unanticipated plasma binding component. J Med Chem 28:1755-6 (1986) [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:
BDBM50025934
Synonyms:
CHEMBL3144405 | {1-[1-(1-{2-[1-(1-Benzyl-piperidin-4-ylcarbamoyl)-3-methyl-butylcarbamoyl]-1-hydroxy-ethyl}-3-methyl-butylcarbamoyl)-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C46H68N8O7
Mol. Mass.:
845.0815
SMILES:
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 |r|
Structure:
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