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Target
Renin
Ligand
BDBM50006214
Substrate
n/a
Meas. Tech.
ChEMBL_195918 (CHEMBL803387)
pH
7.4±n/a
IC50
83±n/a nM
Comments
extracted
Citation
 Boyd, SA; Fung, AK; Baker, WR; Mantei, RA; Armiger, YL; Stein, HH; Cohen, J; Egan, DA; Barlow, JL; Klinghofer, V C-terminal modifications of nonpeptide renin inhibitors: improved oral bioavailability via modification of physicochemical properties. J Med Chem 35:1735-46 (1992) [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:
BDBM50006214
Synonyms:
CHEMBL297701 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy-5-methyl-4-(3-propyl-ureido)-hexylcarbamoyl]-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C38H61N7O6
Mol. Mass.:
711.9342
SMILES:
CCCNC(=O)N[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
Structure:
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