Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50016024
Substrate
n/a
Meas. Tech.
ChEBML_192730
IC50
2000±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:
BDBM50016024
Synonyms:
3-Hydroxy-6-methyl-4-{2-[2-(3-methyl-butyrylamino)-3-phenyl-propane-1-sulfinyl]-3-phenyl-propionylamino}-heptanoic acid {1-[1-(2-benzylcarbamoyl-1-hydroxy-ethyl)-3-methyl-butylcarbamoyl]-ethyl}-amide | CHEMBL422209
Type:
Small organic molecule
Emp. Form.:
C49H71N5O8S
Mol. Mass.:
890.182
SMILES:
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)S(=O)C[C@H](Cc1ccccc1)NC(=O)CC(C)C)C(O)CC(=O)NCc1ccccc1
Structure:
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