Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM136879
Substrate
n/a
Meas. Tech.
TR-FRET Assay
pH
2.5±n/a
IC50
>4950±n/a nM
Comments
extracted
Citation
 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L 2H-imidazol-4-amine compounds and their use as BACE inhibitors US Patent  US9000182 Publication Date 4/7/2015 
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:
BDBM136879
Synonyms:
US10231967, Example 112 | US8865911, 112 | US9000182, 5, isomer 2 | US9918985, Example 112
Type:
Small organic molecule
Emp. Form.:
C24H29N3O
Mol. Mass.:
375.5066
SMILES:
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CCC2)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.16,-3.04,;7.39,-1.7,;5.85,-1.7,;5.08,-.37,;3.54,-.37,;2.77,-1.7,;1.86,-2.95,;.4,-2.47,;-.94,-3.24,;-2.27,-2.47,;-2.27,-.93,;-.94,-.16,;.4,-.93,;1.86,-.46,;.62,.45,;1.09,1.91,;.32,3.24,;2.63,1.91,;3.4,3.24,;3.11,.45,;-3.6,-.16,;-4.94,.61,;-6.27,1.38,;-6.67,2.86,;-8.16,2.46,;-7.76,.98,;3.54,-3.04,;5.08,-3.04,)|
Structure:
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