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Target
Beta-secretase 1
Ligand
BDBM136904
Substrate
n/a
Meas. Tech.
TR-FRET Assay
pH
9.2±n/a
IC50
748±n/a nM
Comments
extracted
Citation
 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S Compounds and their use as BACE inhibitors US Patent  US8865911 Publication Date 10/21/2014 
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:
BDBM136904
Synonyms:
US10231967, Example 129 | US8865911, 129 | US9918985, Example 129
Type:
Small organic molecule
Emp. Form.:
C23H23ClF2N4
Mol. Mass.:
428.905
SMILES:
CC1=NC2(N=C1N)c1cc(ccc1CC21CCC(CC1)C(F)F)-c1cncc(Cl)c1 |c:4,t:1,(.07,3.72,;.84,2.38,;-.07,1.14,;.84,-.11,;2.3,.37,;2.3,1.91,;3.64,2.68,;-.63,-.58,;-1.96,.19,;-3.29,-.58,;-3.29,-2.12,;-1.96,-2.89,;-.63,-2.12,;.84,-2.6,;1.74,-1.35,;2.14,-2.84,;3.63,-3.24,;4.72,-2.15,;4.32,-.66,;2.83,-.26,;6.21,-2.55,;6.6,-4.04,;7.29,-1.46,;-4.63,.19,;-5.96,-.58,;-7.29,.19,;-7.29,1.73,;-5.96,2.5,;-5.96,4.04,;-4.63,1.73,)|
Structure:
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