Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50355534
Substrate
n/a
Meas. Tech.
ChEMBL_776557 (CHEMBL1913654)
IC50
0.07±n/a nM
Citation
 Chen, A; Cauchon, E; Chefson, A; Dolman, S; Ducharme, Y; Dubé, D; Falgueyret, JP; Fournier, PA; Gagné, S; Gallant, M; Grimm, E; Han, Y; Houle, R; Huang, JQ; Hughes, G; Jûteau, H; Lacombe, P; Lauzon, S; Lévesque, JF; Liu, S; Macdonald, D; Mackay, B; McKay, D; Percival, MD; St-Jacques, R; Toulmond, S Renin inhibitors for the treatment of hypertension: design and optimization of a novel series of tertiary alcohol-bearing piperidines. Bioorg Med Chem Lett 21:3976-81 (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:
BDBM50355534
Synonyms:
CHEMBL1910300
Type:
Small organic molecule
Emp. Form.:
C28H32F3N3O3
Mol. Mass.:
515.5672
SMILES:
COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)cccc12 |r|
Structure:
Search PDB for entries with ligand similarity: