Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50340407
Substrate
n/a
Meas. Tech.
ChEMBL_753403 (CHEMBL1799738)
IC50
0.020000±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
More Info.:
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:
BDBM50340407
Synonyms:
(3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)-N-(3-(2-methoxyethoxy)-5-(3-methoxypropyl)benzyl)piperidine-3-carboxamide | CHEMBL1761519
Type:
Small organic molecule
Emp. Form.:
C38H48Cl2N2O6
Mol. Mass.:
699.704
SMILES:
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCOC)c1 |r|