Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50077701
Substrate
n/a
Meas. Tech.
ChEMBL_195756 (CHEMBL803423)
IC50
8200±n/a nM
Citation
 Güller, R; Binggeli, A; Breu, V; Bur, D; Fischli, W; Hirth, G; Jenny, C; Kansy, M; Montavon, F; Müller, M; Oefner, C; Stadler, H; Vieira, E; Wilhelm, M; Wostl, W; Märki, HP Piperidine-renin inhibitors compounds with improved physicochemical properties. Bioorg Med Chem Lett 9:1403-8 (1999) [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:
BDBM50077701
Synonyms:
2-(3-Benzyloxy-propoxy)-5-[(3R,4R)-3-(naphthalen-2-ylmethoxy)-piperidin-4-yl]-pyrimidine | CHEMBL277738
Type:
Small organic molecule
Emp. Form.:
C30H33N3O3
Mol. Mass.:
483.6013
SMILES:
C(COCc1ccccc1)COc1ncc(cn1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1
Structure:
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