Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one
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 PubChem ID
CID: 44259
SID: 22395183
Canonical SMILES
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
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Compound Formula C28H26N4O3
Compound Structure
Protein Name
 Protein Info 
Glycogen synthase kinase-3 beta
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
CMGC protein kinase group
>
CMGC protein kinase GSK family
Uniprot ID
P49841
Gene Name
GSK3B
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 30 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2.62 nM
2 IC50 = 4 nM
3 IC50 = 4.21 nM
4 IC50 = 5 nM
5 IC50 = 5.1 nM
6 IC50 = 5.2 nM
7 IC50 = 5.28 nM
8 IC50 = 5.38 nM
9 IC50 = 5.53 nM
10 IC50 = 9.23 nM
11 IC50 = 11 nM
12 IC50 = 15 nM
13 IC50 = 18.6 nM
14 IC50 = 24 nM
15 IC50 = 30 nM
16 IC50 = 33 nM
17 IC50 = 40 nM
18 IC50 = 50 nM
19 IC50 = 51.6 nM
20 IC50 = 54 nM
21 IC50 = 56 nM
22 IC50 = 63.8 nM
23 IC50 = 72 nM
24 IC50 = 72.2 nM
25 IC50 = 89 nM
26 IC50 = 160 nM
27 Kd = 69 nM
28 Ki = 22 nM