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Target
Beta-secretase 1 [1-458]
Ligand
BDBM195141
Substrate
n/a
Meas. Tech.
BACE Enzyme Assay (Ex.435)
pH
4.4±n/a
IC50
79.8±n/a nM
Comments
extracted
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  US9212153 Publication Date 12/15/2015 
Target
Name:
Beta-secretase 1 [1-458]
Synonyms:
BACE | BACE1 | BACE1_HUMAN | Beta-secretase 1 (aa 1-458) | KIAA1149
Type:
n/a
Mol. Mass.:
50753.53
Organism:
Homo sapiens (Human)
Description:
Truncation 1-458 aa with His-tag at C-terminus
Residue:
458
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTI
  
Inhibitor
Name:
BDBM195141
Synonyms:
US9212153, 203,Ex. 163
Type:
Small organic molecule
Emp. Form.:
C18H22FN3O2
Mol. Mass.:
331.3846
SMILES:
COC1CCC2(Cc3ccc(F)cc3C22N=C(N)N(C)C2=O)CC1 |t:17,(-1.51,18.55,;-3,18.15,;-4.09,19.24,;-5.44,18.49,;-6.5,19.61,;-7.99,20.01,;-8.89,18.76,;-10.36,19.24,;-11.69,18.47,;-13.02,19.24,;-13.02,20.78,;-14.36,21.55,;-11.69,21.55,;-10.36,20.78,;-8.89,21.26,;-10.14,22.16,;-9.66,23.63,;-10.43,24.96,;-8.12,23.63,;-7.35,24.96,;-7.65,22.16,;-6.31,21.39,;-6.64,20.76,;-5.58,19.63,)|
Structure:
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