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Target
Beta-secretase 1
Ligand
BDBM50148341
Substrate
n/a
Meas. Tech.
ChEMBL_41390 (CHEMBL653512)
IC50
9000±n/a nM
Citation
 Hu, B; Fan, KY; Bridges, K; Chopra, R; Lovering, F; Cole, D; Zhou, P; Ellingboe, J; Jin, G; Cowling, R; Bard, J Synthesis and SAR of bis-statine based peptides as BACE 1 inhibitors. Bioorg Med Chem Lett 14:3457-60 (2004) [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:
BDBM50148341
Synonyms:
4-[((S)-2-{(3S,4S)-4-[(3S,4S)-4-(2-Acetylamino-acetylamino)-3-hydroxy-5-phenyl-pentanoylamino]-5-cyclohexyl-3-hydroxy-pentanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid | CHEMBL114147
Type:
Small organic molecule
Emp. Form.:
C39H55N5O9
Mol. Mass.:
737.8821
SMILES:
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)CNC(C)=O)C(=O)NCc1ccc(cc1)C(O)=O
Structure:
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