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Target
Beta-secretase 1
Ligand
BDBM276795
Substrate
n/a
Meas. Tech.
BACE-1 Ki Assay (BACE-1 HTRF FRET Assay)
pH
5±n/a
Ki
19.3±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:
BDBM276795
Synonyms:
N-{5-fluoro-4-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]pyridin-2-yl}-2-methoxypyrido[3,4-b]pyrazin-5-amine | US10071998, Example 10
Type:
Small organic molecule
Emp. Form.:
C18H19FN8O3S
Mol. Mass.:
446.459
SMILES:
COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)ncnc2c1 |r|
Structure:
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