Literature summary for 3.1.1.7 extracted from

Sopkova-de Oliveira Santos, J.; Lesnard, A.; Agondanou, J.H.; Dupont, N.; Godard, A.M.; Stiebing, S.; Rochais, C.; Fabis, F.; Dallemagne, P.; Bureau, R.; Rault, S.
Virtual screening discovery of new acetylcholinesterase inhibitors issued from CERMN chemical library (2010), J. Chem. Inf. Model., 50, 422-428.

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Inhibitors

Inhibitors	Comment	Organism	Structure
(S,S)-(-)-bis(10)-hupyridone	enzyme binding structure, analysis using structure PDB ID 1H22, detailed overview	Tetronarce californica
1-benzyl-3-[(2E)-4-(4-benzylpiperazin-1-yl)but-2-en-1-yl]-1,3-dihydro-2H-thieno[2,3-d]imidazol-2-one	-	Tetronarce californica
1-benzyl-3-[(2E)-4-(4-benzylpiperazin-1-yl)but-2-en-1-yl]-6-methyl-1,3-dihydro-2H-thieno[2,3-d]imidazol-2-one	-	Tetronarce californica
1-benzyl-3-[4-(4-benzylpiperazin-1-yl)butyl]-1,3-dihydro-2H-thieno[2,3-d]imidazol-2-one	-	Tetronarce californica
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,3-dihydro-2H-thieno[2,3-d]imidazol-2-one	-	Tetronarce californica
1-[5-(5-nitro-1H-indazol-3-yl)thiophen-3-yl]ethanone	-	Tetronarce californica
3-benzyl-1-[3-(4-benzylpiperazin-1-yl)propyl]-1,3-dihydro-2H-thieno[2,3-d]imidazol-2-one	-	Tetronarce californica
4-[4-(4-benzylpiperazin-1-yl)butyl]pyrrolo[1,2-a]thieno[2,3-e]pyrazin-5(4H)-one	-	Tetronarce californica
4-[4-(4-benzylpiperazin-1-yl)butyl]pyrrolo[1,2-a]thieno[3,2-e]pyrazin-5(4H)-one	-	Tetronarce californica
5-(4-chlorophenyl)-N-[9-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]nonyl]-3,4-dihydro-2H-pyrano[3,2-c]quinoline-9-carboxamide	-	Tetronarce californica
5-[(1-benzylpiperidin-4-yl)methoxy]-1-methylpyrrolo[1,2-a]thieno[2,3-e]pyrazine	-	Tetronarce californica
5-[(1-benzylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]thieno[3,2-e]pyrazine	-	Tetronarce californica
5-[4-(4-benzylpiperazin-1-yl)butyl]-7-phenyl-1,5-dihydro-4H-furo[2,3-b]pyrrolo[2,3-d]pyridin-4-one	-	Tetronarce californica
donepezil	enzyme binding structure, analysis using structure PDB ID 1EVE, detailed overview	Tetronarce californica
additional information	inhibitor identification by docking and pharmacophore virtual screenings, overview	Tetronarce californica

Organism

Organism	UniProt	Comment	Textmining
Tetronarce californica	P04058	-	-

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.000045	-	-	Tetronarce californica	1-benzyl-3-[(2E)-4-(4-benzylpiperazin-1-yl)but-2-en-1-yl]-1,3-dihydro-2H-thieno[2,3-d]imidazol-2-one
0.000093	-	-	Tetronarce californica	5-(4-chlorophenyl)-N-[9-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]nonyl]-3,4-dihydro-2H-pyrano[3,2-c]quinoline-9-carboxamide
0.000183	-	-	Tetronarce californica	5-[4-(4-benzylpiperazin-1-yl)butyl]-7-phenyl-1,5-dihydro-4H-furo[2,3-b]pyrrolo[2,3-d]pyridin-4-one
0.000298	-	-	Tetronarce californica	1-benzyl-3-[4-(4-benzylpiperazin-1-yl)butyl]-1,3-dihydro-2H-thieno[2,3-d]imidazol-2-one
0.00039	-	-	Tetronarce californica	1-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,3-dihydro-2H-thieno[2,3-d]imidazol-2-one
0.000423	-	-	Tetronarce californica	5-[(1-benzylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]thieno[3,2-e]pyrazine
0.000514	-	-	Tetronarce californica	4-[4-(4-benzylpiperazin-1-yl)butyl]pyrrolo[1,2-a]thieno[3,2-e]pyrazin-5(4H)-one
0.000527	-	-	Tetronarce californica	5-[(1-benzylpiperidin-4-yl)methoxy]-1-methylpyrrolo[1,2-a]thieno[2,3-e]pyrazine
0.00054	-	-	Tetronarce californica	1-[5-(5-nitro-1H-indazol-3-yl)thiophen-3-yl]ethanone
0.000553	-	-	Tetronarce californica	1-benzyl-3-[(2E)-4-(4-benzylpiperazin-1-yl)but-2-en-1-yl]-6-methyl-1,3-dihydro-2H-thieno[2,3-d]imidazol-2-one
0.001283	-	-	Tetronarce californica	4-[4-(4-benzylpiperazin-1-yl)butyl]pyrrolo[1,2-a]thieno[2,3-e]pyrazin-5(4H)-one
0.001374	-	-	Tetronarce californica	3-benzyl-1-[3-(4-benzylpiperazin-1-yl)propyl]-1,3-dihydro-2H-thieno[2,3-d]imidazol-2-one

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Release 2023.1 (January 2023)