Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM477936
Substrate
n/a
Meas. Tech.
In Vitro Enzymatic FRET (Fluorescence Resonance Energy Transfer) Assays
IC50
378±n/a nM
Citation
 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Cyclopropyl fused thiazine derivatives as beta-secretase inhibitors and methods of use US Patent  US10889581 Publication Date 1/12/2021 
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:
BDBM477936
Synonyms:
(1S,5S,6S)-3-amino-5-(5-ethynyl-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide | US10889581, Example 123d
Type:
Small organic molecule
Emp. Form.:
C17H18FN3OS
Mol. Mass.:
331.408
SMILES:
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#C |r,t:11|
Structure:
Search PDB for entries with ligand similarity: