Brief Information of the Compound and Protein
Compound Name
(1S,9R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
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PubChem ID
CID: 9794806
SID: 14749627
Canonical SMILES
C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2
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Compound Formula C15H18N2O
Compound Structure
Protein Name
Acetylcholinesterase
Protein Classification
Enzyme
>
Hydrolase
Uniprot ID
P22303
Gene Name
ACHE
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 29 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.54 nM
2 IC50 = 5 nM
3 IC50 = 12 nM
4 IC50 = 21 nM
5 IC50 = 45 nM
6 IC50 = 47 nM
7 IC50 = 125 nM
8 IC50 = 150 nM
9 IC50 = 260 nM
10 IC50 = 1700 nM
11 Ki = 47 nM