Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50380981
Substrate
n/a
Meas. Tech.
ChEMBL_814100 (CHEMBL2020694)
IC50
1.2±n/a nM
Citation
 Fournier, PA; Arbour, M; Cauchon, E; Chen, A; Chefson, A; Ducharme, Y; Falgueyret, JP; Gagné, S; Grimm, E; Han, Y; Houle, R; Lacombe, P; Lévesque, JF; MacDonald, D; Mackay, B; McKay, D; Percival, MD; Ramtohul, Y; St-Jacques, R; Toulmond, S Design and synthesis of potent, isoxazole-containing renin inhibitors. Bioorg Med Chem Lett 22:2670-4 (2012) [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:
BDBM50380981
Synonyms:
CHEMBL2017109
Type:
Small organic molecule
Emp. Form.:
C24H24BrF2N3O2
Mol. Mass.:
504.367
SMILES:
CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c1Br |r|
Structure:
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