Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50347012
Substrate
n/a
Meas. Tech.
ChEMBL_753402 (CHEMBL1799737)
IC50
0.400000±n/a nM
Citation
 Chen, A; Campeau, LC; Cauchon, E; Chefson, A; Ducharme, Y; Dubé, D; Falgueyret, JP; Fournier, PA; Gagné, S; Grimm, E; Han, Y; Houle, R; Huang, JQ; Lacombe, P; Laliberté, S; Lévesque, JF; Liu, S; MacDonald, D; Mackay, B; McKay, D; Percival, MD; Regan, C; Regan, H; St-Jacques, R; Toulmond, S Renin inhibitors for the treatment of hypertension: design and optimization of a novel series of pyridone-substituted piperidines. Bioorg Med Chem Lett 21:3970-5 (2011) [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:
BDBM50347012
Synonyms:
CHEMBL1796065
Type:
Small organic molecule
Emp. Form.:
C30H37N3O3
Mol. Mass.:
487.6331
SMILES:
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c2ccccc2c1 |r|
Structure:
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