Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50329576
Substrate
n/a
Meas. Tech.
ChEMBL_674731 (CHEMBL1273984)
IC50
5900±n/a nM
Citation
Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Design and synthesis of aminohydantoins as potent and selective humanß-secretase (BACE1) inhibitors with enhanced brain permeability. Bioorg Med Chem Lett 20:6597-605 (2010) [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:
BDBM50329576
Synonyms:
(R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(4-fluoro-3-(5-fluoropent-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one | CHEMBL1270835
Type:
Small organic molecule
Emp. Form.:
C22H19F4N3O2
Mol. Mass.:
433.3988
SMILES:
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(c1)C#CCCCF |r,c:3|