Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50380979
Substrate
n/a
Meas. Tech.
ChEMBL_814100 (CHEMBL2020694)
IC50
4.7±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:
BDBM50380979
Synonyms:
CHEMBL2017100
Type:
Small organic molecule
Emp. Form.:
C24H19BrF2N2O2
Mol. Mass.:
485.321
SMILES:
O[C@@]1(CCNC[C@@H]1c1onc(c1Br)-c1cccc2ccccc12)c1ccc(F)c(F)c1 |r|
Structure:
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