Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50402227
Substrate
n/a
Meas. Tech.
ChEMBL_885260 (CHEMBL2214233)
IC50
>1000±n/a nM
Citation
 Mori, Y; Ogawa, Y; Mochizuki, A; Nakamura, Y; Sugita, C; Miyazaki, S; Tamaki, K; Matsui, Y; Takahashi, M; Nagayama, T; Nagai, Y; Inoue, S; Nishi, T Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors. Bioorg Med Chem Lett 22:7677-82 (2012) [PubMed]  Article 
Target
Name:
Renin
Synonyms:
Angiotensinogenase | REN | RENI_MACFA
Type:
PROTEIN
Mol. Mass.:
45012.96
Organism:
Macaca fascicularis
Description:
ChEMBL_979177
Residue:
406
Sequence:
MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEWSQPMKRLALGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNILSQGVLKEDVFSFYYNRDSENAQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
  
Inhibitor
Name:
BDBM50402227
Synonyms:
CHEMBL2204736
Type:
Small organic molecule
Emp. Form.:
C24H37ClN4O2
Mol. Mass.:
449.029
SMILES:
CC(C)CCNC(=O)[C@@H]1CNC[C@H](CN2CC(=O)N(CC2(C)C)c2ccccc2Cl)C1 |r|
Structure:
Search PDB for entries with ligand similarity: