Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50065427
Substrate
n/a
Meas. Tech.
ChEMBL_1465911 (CHEMBL3406559)
Ki
86±n/a nM
Citation
 McKittrick, BA; Caldwell, JP; Bara, T; Boykow, G; Chintala, M; Clader, J; Czarniecki, M; Courneya, B; Duffy, R; Fleming, L; Giessert, R; Greenlee, WJ; Heap, C; Hong, L; Huang, Y; Iserloh, U; Josien, H; Khan, T; Korfmacher, W; Liang, X; Mazzola, R; Mitra, S; Moore, K; Orth, P; Rajagopalan, M; Roy, S; Sakwa, S; Strickland, C; Vaccaro, H; Voigt, J; Wang, H; Wong, J; Zhang, R; Zych, A Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors. Bioorg Med Chem Lett 25:1592-6 (2015) [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:
BDBM50065427
Synonyms:
CHEMBL3401349
Type:
Small organic molecule
Emp. Form.:
C24H30N4O2
Mol. Mass.:
406.5206
SMILES:
CC(C)[C@]1(C)CC(=O)N(Cc2cccc(c2)C(=O)N[C@H](C)c2ccccc2)C(=N)N1 |r|
Structure:
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