Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50016067
Substrate
n/a
Meas. Tech.
ChEBML_192730
IC50
470±n/a nM
Citation
 Kaltenbronn, JS; Hudspeth, JP; Lunney, EA; Michniewicz, BM; Nicolaides, ED; Repine, JT; RoarK, WH; Stier, MA; Tinney, FJ; Woo, PK Renin inhibitors containing isosteric replacements of the amide bond connecting the P3 and P2 sites. J Med Chem 33:838-45 (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:
BDBM50016067
Synonyms:
CHEMBL435266 | [1-Benzyl-4-(3-{1-[4-(benzyloxycarbonylamino-methyl)-benzylcarbamoyl]-3-methyl-butylcarbamoyl}-1-cyclohexylmethyl-2-hydroxy-propylcarbamoyl)-2-hydroxy-but-3-enyl]-carbamic acid tert-butyl ester : (0.45 chloroform)
Type:
Small organic molecule
Emp. Form.:
C50H69N5O9
Mol. Mass.:
884.111
SMILES:
CC(C)C[C@H](NC(=O)C[C@@H](O)C(CC1CCCCC1)NC(=O)\C=C\C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CNC(=O)OCc2ccccc2)cc1
Structure:
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