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Target
Beta-secretase 1
Ligand
BDBM50065389
Substrate
n/a
Meas. Tech.
ChEMBL_1465912 (CHEMBL3406560)
Ki
3821±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:
Beta-secretase 1
Synonyms:
ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | Beta-secretase (BACE) | Beta-secretase 1 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | Beta-site APP cleaving enzyme 1 | Beta-site amyloid precursor protein cleaving enzyme 1 | KIAA1149 | Memapsin-2 | Membrane-associated aspartic protease 2 | beta-Secretase (BACE-1) | beta-Secretase (BACE1)
Type:
Protein
Mol. Mass.:
55755.10
Organism:
Homo sapiens (Human)
Description:
P56817
Residue:
501
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM50065389
Synonyms:
CHEMBL3401340
Type:
Small organic molecule
Emp. Form.:
C28H26N4O2S
Mol. Mass.:
482.597
SMILES:
C[C@]1(CC(=O)N(Cc2cccc(c2)C(=O)NCc2ccccc2)C(=N)N1)c1ccc2sccc2c1 |r|
Structure:
Search PDB for entries with ligand similarity: