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Literature summary extracted from

  • Chen, X.; Tikhonova, I.G.; Decker, M.
    Probing the mid-gorge of cholinesterases with spacer-modified bivalent quinazolinimines leads to highly potent and selective butyrylcholinesterase inhibitors (2011), Bioorg. Med. Chem., 19, 1222-1235.
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
3.1.1.8 (13E,13'Z)-N,N'-hexane-1,6-diylbis(6,7,8,9,10,11-hexahydro-13H-azocino[2,1-b]quinazolin-13-imine)
-
 Equus caballus
3.1.1.8 (13Z,13'Z)-N,N'-heptane-1,7-diylbis(6,7,8,9,10,11-hexahydro-13H-azocino[2,1-b]quinazolin-13-imine)
-
 Equus caballus
3.1.1.8 (9E,9'E)-N,N'-hexane-1,6-diylbis(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-imine)
-
 Equus caballus
3.1.1.8 (9E,9'Z)-N,N'-heptane-1,7-diylbis(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-imine)
-
 Equus caballus
3.1.1.8 (Z)-N1-methyl-N4-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylidene)-N1-(3-((E)-8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)-butane-1,4-diamine
-
 Equus caballus
3.1.1.8 2-acetamido-N-(4-(8,9,10,11-tetrahydro-6H-azocino-[2,1-b]quinazolin-13(7H)-ylideneamino)butyl)-N-(3-(8,9,10,-11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)acetamide
-
 Equus caballus
3.1.1.8 3-methyl-N-(4-(8,9,10,11-tetrahydro-6H-azocino-[2,1-b]quinazolin-13(7H)-ylideneamino)butyl)-N-(3-(8,9,-10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)butanamide
-
 Equus caballus
3.1.1.8 4-methyl-N-(4-(8,9,10,11-tetrahydro-6H-azocino-[2,1-b]quinazolin-13(7H)-ylideneamino)butyl)-N-(3-(8,9,-10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)pentanamide
-
 Equus caballus
3.1.1.8 cymserine BChE selective inhibitor Equus caballus
3.1.1.8 galanthamine
-
 Equus caballus
3.1.1.8 N,N-bis(3-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)propyl) acetamide
-
 Equus caballus
3.1.1.8 N,N-bis(3-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)acetamide
-
 Equus caballus
3.1.1.8 N-(4-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)butyl)-N-(3-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)propyl) methacrylamide
-
 Equus caballus
3.1.1.8 N-(4-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)butyl)-N-(3-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)propyl) propionamide
-
 Equus caballus
3.1.1.8 N-(4-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)butyl)-N-(3-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)propyl)acetamide
-
 Equus caballus
3.1.1.8 N-(4-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)butyl)-N-(3-(8,9,10,11-tetrahydro--6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)-acetamide
-
 Equus caballus
3.1.1.8 N-(4-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)butyl)-N-(3-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)-methacrylamide
-
 Equus caballus
3.1.1.8 N-(4-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)butyl)-N-(3-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)-pentanamide
-
 Equus caballus
3.1.1.8 N-(4-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)butyl)-N-(3-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)-pivalamide
-
 Equus caballus
3.1.1.8 N-(4-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)butyl)-N-(3-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)-propionamide
-
 Equus caballus
3.1.1.8 N1-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylidene)-N3-(3-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)propyl)-N3-methylpropane-1,3-diamine
-
 Equus caballus
3.1.1.8 N1-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylidene)-N4-(3-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)propyl)-N4-methylbutane-1,4-diamine
-
 Equus caballus
3.1.1.8 N1-methyl-N3-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylidene)-N1-(3-(8,9,10,11-tetrahydro-6Hazocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)propane-1,3-diamine
-
 Equus caballus
3.1.1.8 tacrine
-
 Equus caballus

Organism

EC Number Organism UniProt Comment Textmining
3.1.1.8 Equus caballus
-
-
-

Source Tissue

EC Number Source Tissue Comment Organism Textmining
3.1.1.8 serum
-
 Equus caballus
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
3.1.1.8 acetylthiocholine + H2O
-
 Equus caballus thiocholine + acetate
-
 ?
3.1.1.8 benzoylcholine + H2O
-
 Equus caballus choline + benzoate
-
 ?
3.1.1.8 butyrylthiocholine + H2O
-
 Equus caballus thiocholine + butyrate
-
 ?

Synonyms

EC Number Synonyms Comment Organism
3.1.1.8 BChE
-
 Equus caballus
3.1.1.8 butyrylcholinesterase
-
 Equus caballus

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
3.1.1.8 0.000003
-
 in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C Equus caballus 4-methyl-N-(4-(8,9,10,11-tetrahydro-6H-azocino-[2,1-b]quinazolin-13(7H)-ylideneamino)butyl)-N-(3-(8,9,-10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)pentanamide
3.1.1.8 0.000004
-
 in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C Equus caballus N-(4-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)butyl)-N-(3-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)propyl)acetamide
3.1.1.8 0.0000048
-
 pH and temperature not specified in the publication Equus caballus (9E,9'Z)-N,N'-heptane-1,7-diylbis(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-imine)
3.1.1.8 0.0000059
-
 in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C Equus caballus N-(4-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)butyl)-N-(3-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)propyl) propionamide
3.1.1.8 0.0000064
-
 in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C Equus caballus tacrine
3.1.1.8 0.0000081
-
 in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C Equus caballus 3-methyl-N-(4-(8,9,10,11-tetrahydro-6H-azocino-[2,1-b]quinazolin-13(7H)-ylideneamino)butyl)-N-(3-(8,9,-10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)butanamide
3.1.1.8 0.0000106
-
 in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C Equus caballus N-(4-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)butyl)-N-(3-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)propyl) methacrylamide
3.1.1.8 0.0000129
-
 in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C Equus caballus N-(4-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)butyl)-N-(3-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)-pentanamide
3.1.1.8 0.0000255
-
 in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C Equus caballus N-(4-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)butyl)-N-(3-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)-pivalamide
3.1.1.8 0.000027
-
 pH and temperature not specified in the publication Equus caballus (13E,13'Z)-N,N'-hexane-1,6-diylbis(6,7,8,9,10,11-hexahydro-13H-azocino[2,1-b]quinazolin-13-imine)
3.1.1.8 0.0000377
-
 in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C Equus caballus N-(4-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)butyl)-N-(3-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)-methacrylamide
3.1.1.8 0.0000431
-
 in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C Equus caballus N-(4-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)butyl)-N-(3-(8,9,10,11-tetrahydro--6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)-acetamide
3.1.1.8 0.0000463
-
 in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C Equus caballus N-(4-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)butyl)-N-(3-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)-propionamide
3.1.1.8 0.0000514
-
 in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C Equus caballus (Z)-N1-methyl-N4-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylidene)-N1-(3-((E)-8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)-butane-1,4-diamine
3.1.1.8 0.0000727
-
 in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C Equus caballus N,N-bis(3-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)acetamide
3.1.1.8 0.000076
-
 pH and temperature not specified in the publication Equus caballus (13Z,13'Z)-N,N'-heptane-1,7-diylbis(6,7,8,9,10,11-hexahydro-13H-azocino[2,1-b]quinazolin-13-imine)
3.1.1.8 0.0000813
-
 in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C Equus caballus N1-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylidene)-N4-(3-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)propyl)-N4-methylbutane-1,4-diamine
3.1.1.8 0.000088
-
 pH and temperature not specified in the publication Equus caballus (9E,9'E)-N,N'-hexane-1,6-diylbis(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-imine)
3.1.1.8 0.0001221
-
 in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C Equus caballus 2-acetamido-N-(4-(8,9,10,11-tetrahydro-6H-azocino-[2,1-b]quinazolin-13(7H)-ylideneamino)butyl)-N-(3-(8,9,10,-11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)acetamide
3.1.1.8 0.000197
-
 in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C Equus caballus N1-methyl-N3-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylidene)-N1-(3-(8,9,10,11-tetrahydro-6Hazocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)propane-1,3-diamine
3.1.1.8 0.000267
-
 in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C Equus caballus N,N-bis(3-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)propyl) acetamide
3.1.1.8 0.0005471
-
 in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C Equus caballus N1-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylidene)-N3-(3-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)propyl)-N3-methylpropane-1,3-diamine