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Target
Beta-secretase 1
Ligand
BDBM50302861
Substrate
n/a
Meas. Tech.
ChEMBL_595446 (CHEMBL1045211)
IC50
210±n/a nM
Citation
 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents. Bioorg Med Chem Lett 19:6386-91 (2009) [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:
BDBM50302861
Synonyms:
CHEMBL567026 | N-((2S,3R)-4-((3R,6S)-3-(3-tert-butylphenyl)-6-(methylsulfonyl)piperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
Type:
Small organic molecule
Emp. Form.:
C28H39F2N3O4S
Mol. Mass.:
551.689
SMILES:
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@@H](NC1)S(C)(=O)=O)c1cccc(c1)C(C)(C)C |r|
Structure:
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