Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50009914
Substrate
n/a
Meas. Tech.
ChEBML_192728
IC50
395±n/a nM
Citation
 Doherty, AM; Kaltenbronn, JS; Hudspeth, JP; Repine, JT; Roark, WH; Sircar, I; Tinney, FJ; Connolly, CJ; Hodges, JC; Taylor, MD New inhibitors of human renin that contain novel replacements at the P2 site. J Med Chem 34:1258-71 (1991) [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:
BDBM50009914
Synonyms:
1N-[4-[2-(2-aminoethyl)-1,4-oxazinan-4-yl]-2-hydroxy-1-isobutyl-4-oxo-(1R,2S)-butyl]-6-amino(nitro)(imino)methylamino-2-[1-(1-naphthylmethyl)-3-(1,4-oxazinan-4-yl)-3-oxopropylcarboxamido]hexanamide | CHEMBL282914
Type:
Small organic molecule
Emp. Form.:
C40H61N9O9
Mol. Mass.:
811.9672
SMILES:
CC(C)CC(NC(=O)C(CCCCNC(=N)N[N+]([O-])=O)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)[C@@H](O)CC(=O)N1CCOC(CCN)C1
Structure:
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