Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50347010
Substrate
n/a
Meas. Tech.
ChEMBL_1465911 (CHEMBL3406559)
IC50
1.000000±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:
BDBM50347010
Synonyms:
CHEMBL1796063
Type:
Small organic molecule
Emp. Form.:
C27H36BrN3O3
Mol. Mass.:
530.497
SMILES:
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)cc(Br)c1C |r|
Structure:
Search PDB for entries with ligand similarity: