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Target
Beta-secretase 1
Ligand
BDBM195489
Substrate
n/a
Meas. Tech.
BACE Assay
IC50
55.4±n/a nM
Citation
 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Inhibitors of beta-secretase US Patent  US10336717 Publication Date 7/2/2019 
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:
BDBM195489
Synonyms:
US10336717, Compound 247 | US9212153, 247,Ex. 200
Type:
Small organic molecule
Emp. Form.:
C19H23F2N3O3
Mol. Mass.:
379.401
SMILES:
COC1CCC2(Cc3ccc(OC(F)F)cc3C22N=C(N)N(C)C2=O)CC1 |t:20,(5.61,-4.4,;4.12,-4.8,;3.03,-3.71,;1.69,-4.48,;.62,-3.37,;-.88,-2.99,;-1.78,-4.24,;-3.25,-3.76,;-4.58,-4.53,;-5.92,-3.76,;-5.92,-2.22,;-7.25,-1.45,;-8.58,-2.22,;-9.92,-1.45,;-8.58,-3.76,;-4.58,-1.45,;-3.25,-2.22,;-1.78,-1.75,;-2.69,-.5,;-1.78,.74,;-2.18,2.23,;-.32,.27,;1.02,1.04,;-.32,-1.27,;1.02,-2.04,;.46,-2.22,;1.53,-3.33,)|
Structure:
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