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Target
Beta-secretase 1
Ligand
BDBM403903
Substrate
n/a
Meas. Tech.
BACE Assay
IC50
1.10±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:
BDBM403903
Synonyms:
US10336717, Compound 180
Type:
Small organic molecule
Emp. Form.:
C26H25N5O2
Mol. Mass.:
439.509
SMILES:
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(cc(c2)C#N)C#N)CC1 |t:16,(9.67,-7.71,;8.89,-9.03,;7.35,-9.02,;6.59,-7.68,;5.05,-7.67,;4.27,-9,;3.37,-7.75,;1.9,-8.22,;.57,-7.44,;-.77,-8.2,;-.78,-9.74,;.55,-10.52,;1.89,-9.76,;3.35,-10.24,;2.44,-11.48,;3.34,-12.73,;2.85,-14.2,;4.8,-12.27,;6.04,-13.18,;4.81,-10.73,;6.07,-9.83,;-2.11,-10.5,;-2.12,-12.04,;-3.46,-12.8,;-4.79,-12.02,;-4.78,-10.48,;-3.44,-9.72,;-6.11,-9.7,;-7.44,-8.92,;-3.47,-14.34,;-3.48,-15.88,;5.09,-10.13,;6.57,-10.35,)|
Structure:
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