Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM276800
Substrate
n/a
Meas. Tech.
BACE-1 Ki Assay (BACE-1 HTRF FRET Assay)
pH
5±n/a
Ki
41.2±n/a nM
Comments
extracted
Citation
 Wu, W; He, S; Walsh, SP; Cumming, JN Iminothiadiazine dioxides bearing an amine-linked substituent as BACE inhibitors, compositions, and their use US Patent  US10071998 Publication Date 9/11/2018 
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:
BDBM276800
Synonyms:
(R)-5-(5-(((R)-3-chloro-6,7-dihydro-5H-cyc1openta[b]pyridin-5-yl)amino)-2-fluorophenyl)-3-imino-2,5-dimethyl-1,2,4-thiadiazinane 1,1-dioxide | US10071998, Example 15
Type:
Small organic molecule
Emp. Form.:
C19H21ClFN5O2S
Mol. Mass.:
437.919
SMILES:
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@@H]2CCc3ncc(Cl)cc23)ccc1F |r|
Structure:
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