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Target
Beta-secretase 1 [1-458]
Ligand
BDBM195093
Substrate
n/a
Meas. Tech.
BACE Enzyme Assay (Ex.434)
pH
4.5±n/a
Temperature
298.15±n/a K
IC50
2±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:
Human
Description:
Truncation 1-458 aa with His-tag at C-terminus
Residue:
458
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTI
  
Inhibitor
Name:
BDBM195093
Synonyms:
US10336717, Compound 142 | US9212153, 142,Ex. 107
Type:
Small organic molecule
Emp. Form.:
C29H31N3O2
Mol. Mass.:
453.5753
SMILES:
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(Cc3ccccc3)C2=O)C#CC2CC2)CC1 |t:16,(6.47,-3.09,;5.14,-3.86,;3.8,-3.09,;2.72,-4.18,;1.38,-3.41,;-.16,-3.41,;-1.07,-4.66,;-2.53,-4.18,;-3.87,-4.95,;-5.2,-4.18,;-5.2,-2.64,;-3.87,-1.87,;-2.53,-2.64,;-1.07,-2.17,;-1.97,-.92,;-1.07,.32,;-1.47,1.81,;.4,-.15,;1.49,.94,;2.97,.54,;3.37,-.95,;4.86,-1.35,;5.95,-.26,;5.55,1.23,;4.06,1.63,;.4,-1.69,;1.88,-2.09,;-6.53,-1.87,;-7.87,-1.1,;-9.2,-.33,;-10.74,-.33,;-9.97,1,;.93,-2.33,;2.26,-3.09,)|
Structure:
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