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Information on EC 3.1.1.8 - cholinesterase and Organism(s) Equus caballus and UniProt Accession Q9N1N9
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3.1.1.8 cholinesteraseIUBMB Comments
Acts on a variety of choline esters and a few other compounds.
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Word Map
- 3.1.1.8
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ache
- alzheimer
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cholinergic
- acetylcholine
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organophosphate
- nerve
- dementia
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pesticide
-
poison
- donepezil
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organophosphorus
-
insecticide
- erythrocyte
- physostigmine
- deficit
- atropine
- neuromuscular
- carbamate
- rivastigmine
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muscarinic
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intoxication
-
neurotoxicity
-
amyloid
-
nicotinic
- galantamine
- tacrine
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neuroprotective
- oxime
-
placebo
-
innervation
- carboxylesterase
- chlorpyrifos
- soman
- memantine
-
caregiver
-
mini-mental
-
antipsychotic
- esterases
- parathion
-
placebo-controlled
- myasthenia
-
anticholinergic
- paraoxon
- dfp
- scopolamine
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antidote
- gravis
-
subscale
- delirium
- medicine
- pharmacology
- environmental protection
- drug development
- diagnostics
- analysis
- hallucinations
- biotechnology
The taxonomic range for the selected organisms is: Equus caballus
The enzyme appears in selected viruses and cellular organisms
The enzyme appears in selected viruses and cellular organisms
Synonyms
cholinesterase, butyrylcholinesterase, buche, plasma cholinesterase, serum cholinesterase, pseudocholinesterase, choline esterase, hubche, hbche, plasma esterase, 
more
topSYNONYM 
ORGANISM
UNIPROT
COMMENTARY 
LITERATURE
Acylcholine acylhydrolase
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BChE
benzoylcholinesterase
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-
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butyrylcholine esterase
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butyrylcholinesterase
choline esterase II (unspecific)
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-
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EQ-BCHE
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esterase, butyrylcholine
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esterase, choline
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non-specific cholinesterase
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propionylcholinesterase
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BChE
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butyrylcholinesterase
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REACTION
REACTION DIAGRAM
COMMENTARY
ORGANISM
UNIPROT
LITERATURE
an acylcholine + H2O = choline + a carboxylate
the enzyme follows a mechanism similar to that of a serine protease in which the activated serine attacks the acyl-substrate to form an acyl-enzyme intermediate. The acyl-enzyme intermediate then reacts directly with a water molecule at the active site. Both the acylation and deacylation reactions occur through a tetrahedral intermediate
REACTION TYPE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
hydrolysis of carboxylic ester
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-
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SYSTEMATIC NAME
IUBMB Comments
acylcholine acylhydrolase
Acts on a variety of choline esters and a few other compounds.
CAS REGISTRY NUMBER
COMMENTARY
9001-08-5
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SUBSTRATE
PRODUCT
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
(Substrate)
LITERATURE
(Substrate)
(Substrate)
COMMENTARY
(Product)
(Product)
LITERATURE
(Product)
(Product)
Reversibility
r=reversible
ir=irreversible
?=not specified
r=reversible
ir=irreversible
?=not specified
7-ethyl-10-[4-(1-piperidine)-1-piperidino]carbonyloxycamtothecin + H2O
7-ethyl-10-hydroxycamptothecin + ?
anticancer drug irinotecan CPT-11
-
?
formylthiocholine + H2O
thiocholine + formate
via formation of the tetrahedral intermediate, measurement of heavy atom kinetic isotope effects
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-
?
acetylthiocholine + H2O
thiocholine + acetate
some step (or steps) other than chemical formation of the tetrahedral intermediate are partially rate determining
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-
?
butyrylthiocholine + H2O
?
-
detection by 5,5-dithiobis(2-nitrobenzoic acid)
-
-
?
butyrylthiocholine + H2O
butanoate + thiocholine
-
butyrylthiocholine iodide
-
-
?
butyrylthiocholine + H2O
butyrate + thiocholine
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detection using 5,5'-dithiobis(2-nitrobenzoic acid)
-
-
?
butyrylthiocholine + H2O
thiocholine + butyrate
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-
-
-
?
butyrylthiocholine + H2O
thiocholine + butyrate
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-
-
?
additional information
?
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rat plasma BuChE is increased when pretreated with horse BuChE
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-
?
additional information
?
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hydrolysis of diverse esters and thioesters with various structures of alkyl bridge between esteric atom and ammonium grouping with common formula R1-(O)-X-CHR2-CHR3-C, and of acylates and thioacylates of ammonium derivatives with common formula R1-(O)-X-R2, and of acetates and thioacetates with various structures of ammonium grouping with common formula CH3C(O)-X-CH2CH2-R, overview
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-
?
additional information
?
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the observed heavy atom kinetic isotope effects of butyrylcholinesterase-catalyzed hydrolysis of formylthiocholine support a mechanism for both acylation and deacylation where the steps up to and including the formation of the tetrahedral intermediate are at least partially rate determining. The first irreversible step is the product release in acylation
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-
?
NATURAL SUBSTRATE
NATURAL PRODUCT
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
(Substrate)
LITERATURE
(Substrate)
(Substrate)
COMMENTARY
(Product)
(Product)
LITERATURE
(Product)
(Product)
REVERSIBILITY
r=reversible
ir=irreversible
?=not specified
r=reversible
ir=irreversible
?=not specified
additional information
?
-
-
rat plasma BuChE is increased when pretreated with horse BuChE
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-
?
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
(+)-limonene
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identified compound of Pimpinella anisodes, IC50: 456.2 microgram/ml
(+)-sabinene
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identified compound of Pimpinella anisodes, IC50: 218.6 microgram/ml
(13E,13'Z)-N,N'-hexane-1,6-diylbis(6,7,8,9,10,11-hexahydro-13H-azocino[2,1-b]quinazolin-13-imine)
-
-
(13Z,13'Z)-N,N'-heptane-1,7-diylbis(6,7,8,9,10,11-hexahydro-13H-azocino[2,1-b]quinazolin-13-imine)
-
-
(1alpha,3beta,22R)-stigmast-5-ene-1,3,22-triol
-
i.e. haloxysterol A, isolated from Haloxylon recurvum
(1alpha,3beta,22R)-stigmasta-4,6-diene-1,3,22-triol
-
i.e. haloxysterol B, isolated from Haloxylon recurvum
(1alpha,3beta,5alpha,6beta,22R)-stigmastane-1,3,5,6,22-pentol
-
i.e. haloxysterol D, isolated from Haloxylon recurvum
(1S,2S,11bS)-4-[2-(acetyloxy)ethyl]-5-methyl-1,2,3,4,4a,5,6,11b-octahydro[1,3]dioxolo[4,5-j]phenanthridine-1,2-diyl diacetate
-
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(1S,2S,11bS)-4-[2-(acetyloxy)ethyl]-5-methyl-1,2,4a,5,6,11b-hexahydro[1,3]dioxolo[4,5-j]phenanthridine-1,2-diyl diacetate
-
-
(2,6,6-trimethylcyclohex-1-en-1-yl)methyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
-
-
(22R)-22-hydroxystigmasta-4,9(11)-dien-3-one
-
i.e. haloxysterol , isolated from Haloxylon recurvum
(24S)-ethylcholesta-7,9(11),22(E)-triene-3beta-ol
-
isolated from Haloxylon recurvum
(2E)-2-(4-hydroxy-3-methoxybenzylidene)-3-oxo-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]butanamide
-
(2E)-2-(4-hydroxy-3-methoxybenzylidene)-3-oxo-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]butanamide
-
(2E)-2-(4-hydroxy-3-methoxybenzylidene)-3-oxo-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]butanamide
-
(2E)-2-(4-hydroxybenzylidene)-3-oxo-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]butanamide
-
(2E)-2-(4-hydroxybenzylidene)-3-oxo-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]butanamide
-
(2E)-2-(4-hydroxybenzylidene)-3-oxo-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]butanamide
-
(3,4-dimethoxyphenyl)(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
-
-
(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl (2,3-dimethylphenyl)carbamate
-
-
(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl (2,4,6-trimethylphenyl)carbamate
-
-
(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl (2,4-dimethylphenyl)carbamate
-
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(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl (2,5-dimethylphenyl)carbamate
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(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl (2,6-dimethylphenyl)carbamate
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(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl (2-ethylphenyl)carbamate
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(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl (3,4-dimethylphenyl)carbamate
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(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl (3-methylphenyl)carbamate
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(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl (4-methylphenyl)carbamate
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(3beta,4beta,5beta,6beta,8xi,9xi,14xi,17xi,22R)-4,28-dihydroxy-3-methoxy-1,26-dioxo-5,6:22,26-diepoxyergost-24-en-19-oic acid
-
isolated from Withania somnifera, noncompetitive inhibition
(3beta,4beta,5beta,6beta,8xi,9xi,14xi,17xi,22R)-4,28-dihydroxy-3-methoxy-5,6:22,26-diepoxyergost-24-ene-1,26-dione
-
isolated from Withania somnifera, noncompetitive inhibition
(3beta,4beta,6beta,8xi,9xi,14xi,17xi,22R)-4,6,27-trihydroxy-3-methoxy-22,26-epoxyergost-24-ene-1,26-dione
-
isolated from Withania somnifera, noncompetitive inhibition
(3E)-3-([4-[2-(diethylamino)ethoxy]phenyl]methylidene)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
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-
(3E)-3-([4-[3-(diethylamino)propoxy]phenyl]methylidene)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
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(3E)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
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(3E)-3-[(4-[2-[diethenyl(methylidene)-l5-azanyl]ethoxy]phenyl)methylidene]-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
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(3E)-3-[(4-[3-[diethenyl(methylidene)-l5-azanyl]propoxy]phenyl)methylidene]-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
-
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(3R,4aS,9bS)-9-(chloromethyl)-9b-[2-[(ethoxycarbonyl)(methyl)amino]ethyl]-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-3-yl ethyl carbonate
-
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(4aS,6R,8aS)-3-methoxy-11-methyl-5,6,10,11,13,14-hexahydro-4aH,9H-[1]benzofuro[3a,3,2-gh][3,4]benzoxazonin-6-ol
-
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(4aS,6R,8aS)-3-methoxy-11-[8-[(4aS,6R,8aS)-3-methoxy-6-methyl-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]octyl]-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol
-
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(4aS,6R,8aS)-3-[[12-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)dodecyl]oxy]-6-hydroxy-11-methyl-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium
-
-
(4aS,6R,8aS)-3-[[8-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)octyl]oxy]-6-hydroxy-11-methyl-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium
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(4aS,6R,8aS)-6-hydroxy-3-methoxy-11-[10-[(4aS,6R,8aS)-3-methoxy-6-methyl-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]decyl]-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium
-
-
(4aS,6R,8aS)-6-hydroxy-3-methoxy-11-[8-[(4aS,6R,8aS)-3-methoxy-6-methyl-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]octyl]-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium
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(4aS,6R,8aS)-6-hydroxy-3-methyl-11-(10-phenyldecyl)-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium
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(4aS,6R,8aS)-6-hydroxy-3-methyl-11-(8-phenyloctyl)-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium
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(4beta,5beta,6beta,8xi,9xi,14xi,17xi,22R)-4,27-dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
-
isolated from Ajuga bracteosa, noncompetitive inhibition
(5alpha,6alpha,7alpha,8xi,9xi,14xi,17xi,22R)-5-hydroxy-20-methyl-6,7:22,26-diepoxyergosta-2,24-diene-1,26-dione
-
isolated from Ajuga bracteosa, noncompetitive inhibition
(6R,7S)-6-(acetyloxy)-8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl (2Z)-2-methylbut-2-enoate
mixed-type inhibition
(6R,7S)-6-hydroxy-8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl (2E)-2-methylbut-2-enoate
mixed-type inhibition
(6R,7S)-6-hydroxy-8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl 3-methylbut-2-enoate
noncompetitive inhibition
(6R,7S)-6-methoxy-8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl 3-methylbut-2-enoate
noncompetitive inhibition
(6R,7S)-7-hydroxy-8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-yl 4-methylpent-3-enoate
mixed-type inhibition
(9E,9'E)-N,N'-hexane-1,6-diylbis(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-imine)
-
-
(9E,9'Z)-N,N'-heptane-1,7-diylbis(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-imine)
-
-
(R,S)-1-benzyl-4-[(5,6-dimethoxy-1-indanon)-2-yl]methylpiperidine hydrochloride
-
E2020, acetylcholinesterase inhibitor used in treatment of Alzheimer's disease, interacts with the active site and the peripheral anionic site of the enzyme
(S)-3-benzoyloxy-1-benzylquinuclidinium bromide
-
inhibition at 0.01 mM and 0.02 mM
(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
-
-
1,2,11,12-tetramethoxy-7-methyl-5,6-dihydro-4H,8H-pyrido[3,2,1-de]phenanthridinium
-
-
1,2,3,10,11-pentamethoxy-7-(methoxycarbonyl)-5,6-dihydro-4H,8H-pyrido[3,2,1-de]phenanthridinium
-
-
1-(2-chloro-benzyl)-2-(4-chloro-phenyl)-2-methyl-2,3-dihydro-1H-quinazolin-4-one
-
1-(2-chloro-benzyl)-2-isobutyl-2-methyl-2,3-dihydro-1H-quinazolin-4-one
-
1-(2-chloro-benzyl)-2-methyl-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
-
1-(2-chloro-benzyl)-2-methyl-2-propyl-2,3-dihydro-1H-quinazolin-4-one
-
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
-
-
1-(4-chloro-benzyl)-2-(4-chloro-phenyl)-2-methyl-2,3-dihydro-1H-quinazolin-4-one
-
1-(4-chloro-benzyl)-2-isobutyl-2-methyl-2,3-dihydro-1H-quinazolin-4-one
-
1-(4-chloro-benzyl)-2-methyl-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
-
1-(4-chloro-benzyl)-2-methyl-2-propyl-2,3-dihydro-1H-quinazolin-4-one
-
1-(hydroxymethyl)-5-methyloctahydro-2H-quinolizinium
-
pKi-values and comparison with inhibitory effect on human acetylcholinesterase EC 3.1.1.7 and Berrytheutis magister butyrylcholinesterase EC 3.1.1.8
1-benzyl-2-(4-chloro-phenyl)-2-methyl-2,3-dihydro-1H-quinazolin-4-one
-
1-methyl-1-[2-oxo-3-(7-oxo-7H-dibenzo[de,h]quinolin-9-yl)propyl]pyrrolidinium
-
-
1-methyl-1-[3-oxo-4-(7-oxo-7H-dibenzo[de,h]quinolin-9-yl)butyl]pyrrolidinium
-
-
1-methyl-1-[4-oxo-5-(7-oxo-7H-dibenzo[de,h]quinolin-9-yl)pentyl]pyrrolidinium
-
-
1-methyl-3-(3-(methylamino)cyclohexyl)pyridinium
-
pKi-values and comparison with inhibitory effect on human acetylcholinesterase EC 3.1.1.7 and Berrytheutis magister butyrylcholinesterase EC 3.1.1.8
1-methyl-4,5-dihydro[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-6-ium-2-olate
-
-
10-methoxy-9-(4-phenoxybutoxy)-5,6-dihydro[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium bromide
-
-
2-(3-[[1-(2-fluorobenzyl)piperidin-4-yl]amino]propyl)-1H-isoindole-1,3(2H)-dione
-
2-(3-[[1-(3-chlorobenzyl)piperidin-4-yl]amino]propyl)-1H-isoindole-1,3(2H)-dione
-
2-(3-[[1-(4-hydroxybenzyl)piperidin-4-yl]amino]propyl)-1H-isoindole-1,3(2H)-dione
-
2-(3-[[1-(4-methoxybenzyl)piperidin-4-yl]amino]propyl)-1H-isoindole-1,3(2H)-dione
-
2-(4-hydroxy-3-methoxybenzyl)-3-oxo-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]butanamide
-
2-(4-hydroxy-3-methoxybenzyl)-3-oxo-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]butanamide
-
2-(4-hydroxy-3-methoxybenzyl)-3-oxo-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]butanamide
neuroprotective effect of K3-2 against H2O2-induced toxicity
2-(4-hydroxybenzyl)-3-oxo-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]butanamide
-
2-(4-hydroxybenzyl)-3-oxo-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]butanamide
-
2-(4-hydroxybenzyl)-3-oxo-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]butanamide
-
2-(6-oxo-7,11-diazatricyclo(7.3.1.0 2,7)tridec-11-yl)ethyl acetate
-
pKi-values and comparison with inhibitory effect on human acetylcholinesterase EC 3.1.1.7 and Berrytheutis magister butyrylcholinesterase EC 3.1.1.8
2-(6-[[1-(2-fluorobenzyl)piperidin-4-yl]amino]hexyl)-1H-isoindole-1,3(2H)-dione
-
2-(6-[[1-(3-chlorobenzyl)piperidin-4-yl]amino]hexyl)-1H-isoindole-1,3(2H)-dione
-
2-(6-[[1-(4-hydroxybenzyl)piperidin-4-yl]amino]hexyl)-1H-isoindole-1,3(2H)-dione
-
2-(6-[[1-(4-methoxybenzyl)piperidin-4-yl]amino]hexyl)-1H-isoindole-1,3(2H)-dione
-
2-(8-[[1-(2-fluorobenzyl)piperidin-4-yl]amino]octyl)-1H-isoindole-1,3(2H)-dione
-
2-(8-[[1-(3-chlorobenzyl)piperidin-4-yl]amino]octyl)-1H-isoindole-1,3(2H)-dione
a selective BChE inhibitor
2-(8-[[1-(4-hydroxybenzyl)piperidin-4-yl]amino]octyl)-1H-isoindole-1,3(2H)-dione
-
2-(8-[[1-(4-methoxybenzyl)piperidin-4-yl]amino]octyl)-1H-isoindole-1,3(2H)-dione
-
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
-
-
2-amino-3-((1R)-1-cyclohexyl-2-[(cyclohexylcarbonyl)amino]ethyl)-6-phenoxyquinazolin-3-ium
-
2-[(5-acetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-phenylacetamide
-
2-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-1H-isoindole-1,3(2H)-dione
-
2-[5-[(1-benzylpiperidin-4-yl)amino]pentyl]-1H-isoindole-1,3(2H)-dione
-
2-[6-[(1-benzylpiperidin-4-yl)amino]hexyl]-1H-isoindole-1,3(2H)-dione
-
2-[8-[(1-benzylpiperidin-4-yl)amino]octyl]-1H-isoindole-1,3(2H)-dione
-
2-[cyano(3-indolyl)methylene]-3-indolone
-
an alkaloid isolated from Isatis tinctoria
2-[[2-[(5aS,7R,9aS)-1-formyl-7-hydroxy-4-methoxy-6,7-dihydrodibenzo[b,d]furan-9a(5aH)-yl]ethyl](methyl)amino]butanoic acid
-
-
2-[[2-[(5aS,7R,9aS)-7-hydroxy-1-(hydroxymethyl)-4-methoxy-6,7-dihydrodibenzo[b,d]furan-9a(5aH)-yl]ethyl](methyl)amino]butanoic acid
-
-
2-[[5-acetyl-6-methyl-4-(4-phenoxyphenyl)-1,4-dihydropyrimidin-2-yl]sulfanyl]-N-phenylacetamide
-
3,3'-((1,5-dioxopentane-1,5-diyl)bis(iminocyclohexane-3,1-diyl))bis(1-methylpyridinium)
-
pKi-values and comparison with inhibitory effect on human acetylcholinesterase EC 3.1.1.7 and Berrytheutis magister butyrylcholinesterase EC 3.1.1.8
3,3'-[butane-1,4-diylbis(oxy)]bis(5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinoline)
-
-
3,3'-[butane-1,4-diylbis(oxy)]bis(7-methyl-5,6,7,8,9,14-hexahydrodibenzo[d,g]azecine)
-
-
3,3'-[butane-1,4-diylbis(oxy)]bis(7-methyl-5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinolinium) diiodide
-
-
3,3'-[dodecane-1,12-diylbis(oxy)]bis(5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinoline)
-
-
3,3'-[dodecane-1,12-diylbis(oxy)]bis(7-methyl-5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinolinium) diiodide
-
-
3,3'-[hexane-1,6-diylbis(oxy)]bis(5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinoline)
-
-
3,3'-[hexane-1,6-diylbis(oxy)]bis(7-methyl-5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinolinium) diiodide
-
-
3,3'-[octane-1,8-diylbis(oxy)]bis(5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinoline)
-
-
3,3'-[octane-1,8-diylbis(oxy)]bis(7-methyl-5,6,7,8,9,14-hexahydrodibenzo[d,g]azecine)
-
-
3,3'-[octane-1,8-diylbis(oxy)]bis(7-methyl-5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinolinium) diiodide
-
-
3,3'-[pentane-1,5-diylbis(oxy)]bis(5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinoline)
-
-
3,3'-[pentane-1,5-diylbis(oxy)]bis(7-methyl-5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinolinium) diiodide
-
-
3,3'-[propane-1,3-diylbis(oxy)]bis(5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinoline)
-
-
3,3'-[propane-1,3-diylbis(oxy)]bis(7-methyl-5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinolinium) diiodide
-
-
3-(4-[2-[diethenyl(methylidene)-l5-azanyl]ethoxy]benzyl)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
-
-
3-(4-[3-[diethenyl(methylidene)-l5-azanyl]propoxy]benzyl)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
-
-
3-(6-oxo-6-(8-oxooctahydro-2H-2,6-methanopyrido(1,2-a)(1,5)diazocin-3(4H)-yl)hexanoyl)decahydro-8H-1,5-methanopyrido(1,2-a)(1,5)diazocin-8-one
-
pKi-values and comparison with inhibitory effect on human acetylcholinesterase EC 3.1.1.7 and Berrytheutis magister butyrylcholinesterase EC 3.1.1.8
3-(9-hydroxy-5,6-dimethyl-7H,9H-pyrano[3,4,5-ij]isoquinolin-9-yl)propane-1,2-diol
-
-
3-(9-methoxy-5,6-dimethyl-7H,9H-pyrano[3,4,5-ij]isoquinolin-9-yl)propane-1,2-diol
-
-
3-hydroxy-2,2,6-trimethyl-3,4,5,6-tetrahydro-2H-pyrano[3,2c] quinoline 5-one
-
isolated from Skimmia laureola
3-methoxy-7-methyl-5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinolinium iodide
-
micromolar non-selective inhibitor
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-N,N-diethylaminophenyl-N'-(1-alkyl) carbamates
-
inhibit quickly by carbamoylation
3-[4-[3-(diethylamino)propoxy]benzyl]-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
-
-
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
-
-
5alpha,8alpha-epidioxy-(24S)-ethylcholesta-6,9(11),22(E)-triene-3beta-ol
-
isolated from Haloxylon recurvum
6,8-dibromo-2-(4-chlorophenyl)-2-methyl-2,3-dihydroquinazolin-4(1H)-one
-
6-formylumbelliferone
isolated from Angelica decursiva, noncompetitive inhibition
7(R,S)-1-benzyl-4-[(5,6-dimethoxy-1-indanon)-2-yl]methylpiperidine hydrochloride
-
-
7-methyloctahydro-2H-quinolizin-1-yl (7-methyloctahydro-2H-quinolizin-1-yl)methyl butanedioate
-
pKi-values and comparison with inhibitory effect on human acetylcholinesterase EC 3.1.1.7 and Berrytheutis magister butyrylcholinesterase EC 3.1.1.8
9-(4-[[2-(dimethylamino)ethyl]amino]-2-oxobutyl)-7H-dibenzo[de,h]quinolin-7-one
-
-
9-O-[3-(naphthalene-2-ylthio)butyl]-berberine bromide
-
most potent BuChE inhibito
abamectin
-
is a potent inhibitor of horse serum butyrylcholinesterase which interacts with the enzyme in a reversible, competitive manner predictively to block the mouth of the active-site gorge of the enzyme and to bind to several critical residues that normally bind/hydrolyze choline esters. Abamectin is a blend of natural avermectins B1a and B1b. Avermectins potentiate the ability of certain neurotransmitters (GABA and/or glutamate) to trigger an influx of Cl- ions carried by neurotransmitter-gated chloride channels in target organisms. Competitive versus butyrylthiocholine. Docking study, BChE-avermectin docking and interaction profiling, overview
avermectin B1a
-
engagement of avermectin B1a in a hydrogen-bonding interaction with the catalytic serine
ethyl [2-[(5aS,7R,9aS)-1-formyl-7-hydroxy-4-methoxy-6,7-dihydrodibenzo[b,d]furan-9a(5aH)-yl]ethyl]methylcarbamate
-
-
ethyl [2-[(5aS,7R,9aS)-7-hydroxy-1-(hydroxymethyl)-4-methoxy-6,7-dihydrodibenzo[b,d]furan-9a(5aH)-yl]ethyl]methylcarbamate
-
-
N,N'-bis(3-pyridin-3-ylcyclohexyl)pentanediamide
-
pKi-values and comparison with inhibitory effect on human acetylcholinesterase EC 3.1.1.7 and Berrytheutis magister butyrylcholinesterase EC 3.1.1.8
N,N,N,N',N',N'-hexamethylbutane-1,4-diaminium
-
pKi-values and comparison with inhibitory effect on human acetylcholinesterase EC 3.1.1.7 and Berrytheutis magister butyrylcholinesterase EC 3.1.1.8
N,N,N-trimethyl-2-oxo-3-(7-oxo-7H-dibenzo[de,h]quinolin-9-yl)propan-1-aminium
-
-
N,N,N-trimethyl-3-oxo-4-(7-oxo-7H-dibenzo[de,h]quinolin-9-yl)butan-1-aminium
-
-
N,N,N-trimethyl-4-oxo-5-(7-oxo-7H-dibenzo[de,h]quinolin-9-yl)pentan-1-aminium
-
-
N,N,N-trimethylmethanaminium
-
pKi-values and comparison with inhibitory effect on human acetylcholinesterase EC 3.1.1.7 and Berrytheutis magister butyrylcholinesterase EC 3.1.1.8
N,N-bis(3-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)propyl) acetamide
-
-
N,N-bis(3-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)acetamide
-
-
N-(2-phenylethyl)-N-[(12Z)-7,8,9,10-tetrahydroazepino [2,1b]quinazolin-12(6H)-ylidene]amine
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
-
N-(cyclohexyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-methylacetamide
-
N-methyl-3-pyridin-3-ylcyclohexanamine
-
pKi-values and comparison with inhibitory effect on human acetylcholinesterase EC 3.1.1.7 and Berrytheutis magister butyrylcholinesterase EC 3.1.1.8
N-[4-[4-(1,3-benzothiazol-2-yl)phenoxy]butyl]-6-chloro-1,2,3,4-tetrahydroacridin-9-amine
-
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
-
-
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
-
-
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
-
-
O-(4-bromo-2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl) O,O-diethyl phosphorothioate
-
-
O-(4-bromo-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl) O,O-diethyl phosphorothioate
-
least effective inhibitor
O-(4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl) O,O-diethyl phosphorothioate
-
-
O-(4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl) O,O-diethyl phosphorothioate
-
-
O-(5-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl) O,O-diethyl phosphorothioate
-
-
O-(5-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl) O,O-diethyl phosphorothioate
-
-
O-[2-[(3-bromophenyl)carbamoyl]-4-chlorophenyl] O,O-diethyl phosphorothioate
-
-
O-[2-[(3-bromophenyl)carbamoyl]-5-chlorophenyl] O,O-diethyl phosphorothioate
-
-
O-[2-[(4-bromophenyl)carbamoyl]-4-chlorophenyl] O,O-diethyl phosphorothioate
-
-
O-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl] O,O-diethyl phosphorothioate
-
-
O-[4-bromo-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
-
-
O-[4-bromo-2-[(3-chlorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
-
-
O-[4-bromo-2-[(3-fluorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
-
-
O-[4-bromo-2-[(4-bromophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
-
-
O-[4-bromo-2-[(4-chlorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
-
-
O-[4-bromo-2-[(4-fluorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
-
-
O-[4-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
-
-
O-[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
-
-
O-[4-chloro-2-[(3-fluorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
-
-
O-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
-
-
O-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
-
-
O-[5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
-
-
O-[5-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
-
-
O-[5-chloro-2-[(3-fluorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
-
second best inhibitor
O-[5-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
-
-
O-[5-chloro-2-[(4-fluorophenyl)-carbamoyl]phenyl] O,O-diethyl phosphorothioate
-
most efficient inhibitor
octahydro-2H-quinolizin-1-yl octahydro-2H-quinolizin-1-ylmethyl butanedioate
-
pKi-values and comparison with inhibitory effect on human acetylcholinesterase EC 3.1.1.7 and Berrytheutis magister butyrylcholinesterase EC 3.1.1.8
octahydro-2H-quinolizin-1-ylmethanol
-
pKi-values and comparison with inhibitory effect on human acetylcholinesterase EC 3.1.1.7 and Berrytheutis magister butyrylcholinesterase EC 3.1.1.8
R-DEPP
O,R-diethylphenylphosphonothioate, stereospecific inhibition kinetics and stereospecificity of the chiral nerve agent derivative O,R-diethylphenylphosphonothioate. Chemical modification by DEPP, a measurable amount of the enzyme-phosphonate adduct does not undergo aging
S-DEPP
O,S-diethylphenylphosphonothioate, stereospecific inhibition kinetics and stereospecificity of the chiral nerve agent derivative O,S-diethylphenylphosphonothioate. Chemical modification by DEPP, a measurable amount of the enzyme-phosphonate adduct does not undergo aging. Pralidoxime, a common rescue agent, affects a modest recovery of eqBChE from treatment with S-DEPP. S-DEPP inhibition is practically irreversible. Kinetic analysis of S-DEPP with cholinesterases
trans-anethole
-
identified compound of Pimpinella anisodes, IC50: 209.6 microgram/ml
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
-
-
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
-
ethopropazine
-
inhibits at low substrate concentrations, inhibition mechanism
paraoxon
-
paraoxon binds to both the enzyme and acyl-enzyme, but with weak affinities. A slight activation is observed at the lowest paraoxon concentrations and is attributed to the binding of the substrate to the enzyme-inhibitor complex
physostigmine
-
identified compound of Pimpinella anisodes, IC50: 0.17 microgram/ml
additional information
-
ortho electron domating substitutents of the inhibitors accelerate inhibition of enzyme by ortho polar effects
-
additional information
-
some inhibitors fullfill the competitive inhibition model with irreversible reaction between enzyme and inhibitor, but e.g. not galantamin
-
additional information
-
specificity of diverse reversible sulfonium inhibitors, overview
-
additional information
-
76% inhibition by a furanocoumarin mixture obtained from Heracleum crenatifolium, no inhibition by rhapontin, rhein, 4-hydroxycoumarin, aloe-emodine, bergapten and iso-bergapten
-
additional information
-
no inhibition by gamma-terpinene, 4-allyl anisole, cumol, trans-anethole, camphene, iso-borneol, l-bornyl acetate, and 2-heptanol
-
additional information
-
potency and mechanism of diverse enzyme inhibitors, corydaline and ribalinine, isolated from Skimmia laureola, are specific for acetylcholinesterase, overview
-
additional information
-
selectivity and inhibitory potency of isaindigotone derivatives for inhibition of BuChE
-
additional information
-
not inhibited by 3-methoxy-5,8,9,13b-tetrahydro-6H-isoquino-[1,2-a]isoquinoline and 3-methoxy-7-methyl-5,6,7,8,9,14-hexahydrodibenzo[d,g]azecine
-
additional information
design, synthesis, and biological evaluation of multifunctional tacrine-curcumin hybrids as cholinesterase inhibitors with metal ions-chelating and neuroprotective properties, overview. The hybrid compounds show good cholinesterase inhibitory activity, some of the compounds exhibit different selectivity on acetylcholinesterase (EC 3.1.1.7) or butyrylcholinesterase due to the structural difference. Structure-activity relationships, molecular modelling, overview
-
additional information
evaluation of a combination of both anticholinesterase and beta-amyloid anti-aggregation activities in one molecule, and therapeutic potential in vivo. Design and synthesis of 28 compounds as derivatives of donepezil that contain the N-benzylpiperidine moiety combined with the phthalimide or indole moieties. No or poor inhibition by 2-[5-[(1-benzylpiperidin-4-yl)amino]pentyl]-1H-isoindole-1,3(2H)-dione
-
additional information
evaluation of the potential of six dihydroxanthyletin-type coumarins, isolated from Angelica decursiva, to inhibit acetylcholinesterase (AChE, EC 3.1.1.7), butyrylcholinesterase (BChE), and beta-site amyloid precursor protein cleaving enzyme 1 (BACE1, EC 3.4.23.46), overview
-
additional information
in-vitro evaluation and in-silico studies on amide derivatives of N-phthaloylglycine as butyrylcholinesterase (BChE) inhibitors. The compounds dock into the binding pocket of butyrylcholinesterase enzyme showing interactive amino acid residues of the binding gorge, docking study, overview
-
additional information
substrate inhibition with formylthiocholine does not occur
-
additional information
synthesis, biochemical evaluation, and molecular modeling studies of aryl and arylalkyl di-n-butyl phosphates, effective butyrylcholinesterase inhibitors, overview. Analysis of enzyme binding structure, structure-function analysis, modeling
-
additional information
synthesis, crystal structure determination, biological screening, and docking studies of N1-substituted derivatives of 2,3-dihydroquinazolin-4(1H)-one as inhibitors of cholinesterases, structure-activity relationships, overview
-
ACTIVATING COMPOUND
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
2,6-dichlorophenolindophenyl acetate
-
exhibits an activatory effect at acid pH values
2-trimethylsilyl-ethyl-N-n-butylcarbamate
-
substrate activation, essential activator of BChE, kinetics
3,3-dimethylbutyl-N-n-butylcarbamate
-
substrate activation, essential activator of BChE, kinetics
additional information
-
at pH 5.5, phenylacetate exhibits no activatory effect within a broad concentration range (0.5-100 mM)
-
additional information
-
phenyl acetate does not produce activating effect at pH 5.5 in sufficiently wide substrate concentration ranges (0.5-100 mM)
-
KM VALUE [mM]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
additional information
additional information
-
steady-state kinetics, overview
-
additional information
additional information
-
kinetics of hydrolysis of diverse esters and thioesters with various structures of alkyl bridge between esteric atom and ammonium grouping with common formula R1-(O)-XCHR2-CHR3-C by BChE, overview
-
additional information
additional information
kinetic isotope effects for the butrylylcholinesterase catalyzed and non-enzymatic hydrolysis of formylthiocholine, overview
-
TURNOVER NUMBER [1/s]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
433.1
acetylthiocholine
-
at pH 7.0, temperature not specified in the publication
Ki VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.01102
(6R,7S)-6-(acetyloxy)-8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl (2Z)-2-methylbut-2-enoate
pH 8.0, 22°C
0.01106
(6R,7S)-6-hydroxy-8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl (2E)-2-methylbut-2-enoate
pH 8.0, 22°C
0.01751
(6R,7S)-6-hydroxy-8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl 3-methylbut-2-enoate
pH 8.0, 22°C
0.00544
(6R,7S)-6-methoxy-8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl 3-methylbut-2-enoate
pH 8.0, 22°C
0.02606
(6R,7S)-7-hydroxy-8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-yl 4-methylpent-3-enoate
pH 8.0, 22°C
0.00023
1,2-dimethyl-beta-carbolin-2-ium iodide
-
pH and temperature not specified in the publication
0.0017
2-(trifluoromethyl)phenyl butylcarbamate
-
pH 7.0, 25°C, selectivity for EC 3.1.1.8 over EC 3.1.1.7 is 0.11
0.013
2-chlorophenyl butylcarbamate
-
pH 7.0, 25°C, selectivity for EC 3.1.1.8 over EC 3.1.1.7 is 0.6
0.000637
2-ethyl-1-methyl-beta-carbolin-2-ium iodide
-
pH and temperature not specified in the publication
0.0042
2-ethylphenyl butylcarbamate
-
pH 7.0, 25°C, selectivity for EC 3.1.1.8 over EC 3.1.1.7 is 0.4
0.017
2-methoxyphenyl butylcarbamate
-
pH 7.0, 25°C, selectivity for EC 3.1.1.8 over EC 3.1.1.7 is 2.5
0.011
2-methylphenyl butylcarbamate
-
pH 7.0, 25°C, selectivity for EC 3.1.1.8 over EC 3.1.1.7 is 1.1
0.0007
2-nitrophenyl butylcarbamate
-
pH 7.0, 25°C, selectivity for EC 3.1.1.8 over EC 3.1.1.7 is 0.04
0.022
2-tert-butoxyphenyl butylcarbamate
-
pH 7.0, 25°C, selectivity for EC 3.1.1.8 over EC 3.1.1.7 is 4
0.00064
7(R,S)-1-benzyl-4-[(5,6-dimethoxy-1-indanon)-2-yl]methylpiperidine hydrochloride
-
pH 8, 25°C
0.011
biphenyl-2-yl butylcarbamate
-
pH 7.0, 25°C, selectivity for EC 3.1.1.8 over EC 3.1.1.7 is 1.0
0.009
phenyl butylcarbamate
-
pH 7.0, 25°C, selectivity for EC 3.1.1.8 over EC 3.1.1.7 is 0.8
additional information
additional information
-
inhibition kinetics, value of carbamoylation inhibition
-
additional information
additional information
-
specificity of diverse reversible sulfonium inhibitors, overview
-
IC50 VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.000027
(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
-
pH and temperature not specified in the publication
0.000076
(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
-
pH and temperature not specified in the publication
0.083
(2,6,6-trimethylcyclohex-1-en-1-yl)methyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
Equus caballus
-
-
0.00187
(2E)-2-(4-hydroxy-3-methoxybenzylidene)-3-oxo-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]butanamide
Equus caballus
pH 8.0, 37°C
0.00211
(2E)-2-(4-hydroxy-3-methoxybenzylidene)-3-oxo-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]butanamide
Equus caballus
pH 8.0, 37°C
0.0015
(2E)-2-(4-hydroxy-3-methoxybenzylidene)-3-oxo-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]butanamide
Equus caballus
pH 8.0, 37°C
0.0016
(2E)-2-(4-hydroxybenzylidene)-3-oxo-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]butanamide
Equus caballus
pH 8.0, 37°C
0.00477
(2E)-2-(4-hydroxybenzylidene)-3-oxo-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]butanamide
Equus caballus
pH 8.0, 37°C
0.00224
(2E)-2-(4-hydroxybenzylidene)-3-oxo-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]butanamide
Equus caballus
pH 8.0, 37°C
0.0127
(3E)-3-([4-[2-(diethylamino)ethoxy]phenyl]methylidene)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
Equus caballus
-
-
0.0071
(3E)-3-([4-[3-(diethylamino)propoxy]phenyl]methylidene)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
Equus caballus
-
-
0.003
(3E)-3-[(4-[2-[diethenyl(methylidene)-l5-azanyl]ethoxy]phenyl)methylidene]-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
Equus caballus
-
-
0.0017
(3E)-3-[(4-[3-[diethenyl(methylidene)-l5-azanyl]propoxy]phenyl)methylidene]-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
Equus caballus
-
-
0.00918
(6R,7S)-6-(acetyloxy)-8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl (2Z)-2-methylbut-2-enoate
Equus caballus
pH 8.0, 22°C
0.00578
(6R,7S)-6-hydroxy-8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl (2E)-2-methylbut-2-enoate
Equus caballus
pH 8.0, 22°C
0.00734
(6R,7S)-6-hydroxy-8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl 3-methylbut-2-enoate
Equus caballus
pH 8.0, 22°C
0.00886
(6R,7S)-6-methoxy-8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl 3-methylbut-2-enoate
Equus caballus
pH 8.0, 22°C
0.01391
(6R,7S)-7-hydroxy-8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-yl 4-methylpent-3-enoate
Equus caballus
pH 8.0, 22°C
0.000088
(9E,9'E)-N,N'-hexane-1,6-diylbis(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-imine)
Equus caballus
-
pH and temperature not specified in the publication
0.0000048
(9E,9'Z)-N,N'-heptane-1,7-diylbis(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-imine)
Equus caballus
-
pH and temperature not specified in the publication
0.0000514
(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
-
in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C
0.1072
1,2,2-triethyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.000531
1,2-di(berberine-9-O-yl)ethane dibromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.1069
1,2-diethyl-2-methyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.00023
1,2-dimethyl-beta-carbolin-2-ium iodide
Equus caballus
-
pH and temperature not specified in the publication
0.000231
1,3-di(berberine-9-O-yl)propane dibromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.01102
1-(2-chloro-benzyl)-2,2-diethyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.01056
1-(2-chloro-benzyl)-2,2-diisobutyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.0502
1-(2-chloro-benzyl)-2,2-dimethyl-2,3-dihydro-1Hquinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.0196
1-(2-chloro-benzyl)-2-(4-chloro-phenyl)-2-methyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.0332
1-(2-chloro-benzyl)-2-ethyl-2-methyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.046
1-(2-chloro-benzyl)-2-isobutyl-2-methyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.0196
1-(2-chloro-benzyl)-2-methyl-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.0065
1-(2-chloro-benzyl)-2-methyl-2-propyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.00083
1-(2-fluorobenzyl)-N-[6-(1H-indol-1-yl)hexyl]piperidin-4-amine
Equus caballus
pH 8.0, 25°C
0.00075
1-(2-fluorobenzyl)-N-[8-(1H-indol-1-yl)octyl]piperidin-4-amine
Equus caballus
pH 8.0, 25°C
0.00178
1-(3-chlorobenzyl)-N-[6-(1H-indol-1-yl)hexyl]piperidin-4-amine
Equus caballus
pH 8.0, 25°C
0.00133
1-(3-chlorobenzyl)-N-[8-(1H-indol-1-yl)octyl]piperidin-4-amine
Equus caballus
pH 8.0, 25°C
0.0237
1-(4-chloro-benzyl)-2,2-diethyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.00156
1-(4-chloro-benzyl)-2,2-diisobutyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.00448
1-(4-chloro-benzyl)-2-(4-chloro-phenyl)-2-methyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.0189
1-(4-chloro-benzyl)-2-ethyl-2-methyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.0115
1-(4-chloro-benzyl)-2-isobutyl-2-methyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.0205
1-(4-chloro-benzyl)-2-methyl-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.0046
1-(4-chloro-benzyl)-2-methyl-2-propyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.0165
1--(4-chloro-benzyl)-2,2-dimethyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.0045
1-benzyl-2,2-diethyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.00248
1-benzyl-2,2-diisobutyl-2,3-dihydro-1Hquinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.0224
1-benzyl-2,2-dimethyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.00376
1-benzyl-2-(4-chloro-phenyl)-2-methyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.0354
1-benzyl-2-ethyl-2-methyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.00357
1-benzyl-2-isobutyl-2-methyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.0217
1-benzyl-2-methyl-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.0445
1-benzyl-2-methyl-2-propyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.0153
1-benzyl-N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]piperidin-4-amine
Equus caballus
pH 8.0, 25°C
0.00108
1-benzyl-N-[5-(2,3-dihydro-1H-indol-1-yl)pentyl]piperidin-4-amine
Equus caballus
pH 8.0, 25°C
0.00341
1-benzyl-N-[6-(1H-indol-1-yl)hexyl]piperidin-4-amine
Equus caballus
pH 8.0, 25°C
0.00093
1-benzyl-N-[8-(1H-indol-1-yl)octyl]piperidin-4-amine
Equus caballus
pH 8.0, 25°C
0.0418
1-ethyl-2,2-diisobutyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.0709
1-ethyl-2,2-dimethyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.0998
1-ethyl-2-isobutyl-2-methyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.0614
1-ethyl-2-methyl-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.1261
1-ethyl-2-methyl-2-propyl -2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.00489
10-methoxy-9-(4-phenoxybutoxy)-5,6-dihydro[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.000027
10-[4-[(diethylamino)methyl]phenoxy]-N,N-diethyldecan-1-amine
Equus caballus
-
pH and temperature not specified in the publication
0.000026
10-[4-[(diethylamino)methyl]phenoxy]-N,N-dipropyldecan-1-amine
Equus caballus
-
pH and temperature not specified in the publication
0.01052
2-(3-[[1-(2-fluorobenzyl)piperidin-4-yl]amino]propyl)-1H-isoindole-1,3(2H)-dione
Equus caballus
pH 8.0, 25°C
0.00453
2-(3-[[1-(3-chlorobenzyl)piperidin-4-yl]amino]propyl)-1H-isoindole-1,3(2H)-dione
Equus caballus
pH 8.0, 25°C
0.00937
2-(3-[[1-(4-hydroxybenzyl)piperidin-4-yl]amino]propyl)-1H-isoindole-1,3(2H)-dione
Equus caballus
pH 8.0, 25°C
0.0268
2-(3-[[1-(4-methoxybenzyl)piperidin-4-yl]amino]propyl)-1H-isoindole-1,3(2H)-dione
Equus caballus
pH 8.0, 25°C
0.0974
2-(4-chloro-phenyl)-1-ethyl-2-methyl-2,3-dihydro-1H-quinazolin-4-one
Equus caballus
pH and temperature not specified in the publication
0.00131
2-(4-hydroxy-3-methoxybenzyl)-3-oxo-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]butanamide
Equus caballus
pH 8.0, 37°C
0.00338
2-(4-hydroxy-3-methoxybenzyl)-3-oxo-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]butanamide
Equus caballus
pH 8.0, 37°C
0.00022
2-(4-hydroxy-3-methoxybenzyl)-3-oxo-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]butanamide
Equus caballus
pH 8.0, 37°C
0.00083
2-(4-hydroxybenzyl)-3-oxo-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]butanamide
Equus caballus
pH 8.0, 37°C
0.00039
2-(4-hydroxybenzyl)-3-oxo-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]butanamide
Equus caballus
pH 8.0, 37°C
0.0002
2-(4-hydroxybenzyl)-3-oxo-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]butanamide
Equus caballus
pH 8.0, 37°C
0.004
2-(6-[[1-(2-fluorobenzyl)piperidin-4-yl]amino]hexyl)-1H-isoindole-1,3(2H)-dione
Equus caballus
pH 8.0, 25°C
0.00273
2-(6-[[1-(3-chlorobenzyl)piperidin-4-yl]amino]hexyl)-1H-isoindole-1,3(2H)-dione
Equus caballus
pH 8.0, 25°C
0.00232
2-(6-[[1-(4-hydroxybenzyl)piperidin-4-yl]amino]hexyl)-1H-isoindole-1,3(2H)-dione
Equus caballus
pH 8.0, 25°C
0.00739
2-(6-[[1-(4-methoxybenzyl)piperidin-4-yl]amino]hexyl)-1H-isoindole-1,3(2H)-dione
Equus caballus
pH 8.0, 25°C
0.00187
2-(8-[[1-(2-fluorobenzyl)piperidin-4-yl]amino]octyl)-1H-isoindole-1,3(2H)-dione
Equus caballus
pH 8.0, 25°C
0.00072
2-(8-[[1-(3-chlorobenzyl)piperidin-4-yl]amino]octyl)-1H-isoindole-1,3(2H)-dione
Equus caballus
pH 8.0, 25°C
0.00081
2-(8-[[1-(4-hydroxybenzyl)piperidin-4-yl]amino]octyl)-1H-isoindole-1,3(2H)-dione
Equus caballus
pH 8.0, 25°C
0.00565
2-(8-[[1-(4-methoxybenzyl)piperidin-4-yl]amino]octyl)-1H-isoindole-1,3(2H)-dione
Equus caballus
pH 8.0, 25°C
0.0001221
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
-
in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C
0.000637
2-ethyl-1-methyl-beta-carbolin-2-ium iodide
Equus caballus
-
pH and temperature not specified in the publication
0.00017
2-[(5-acetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-phenylacetamide
Equus caballus
pH and temperature not specified in the publication
0.0518
2-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-1H-isoindole-1,3(2H)-dione
Equus caballus
pH 8.0, 25°C
0.01285
2-[6-[(1-benzylpiperidin-4-yl)amino]hexyl]-1H-isoindole-1,3(2H)-dione
Equus caballus
pH 8.0, 25°C
0.00198
2-[8-[(1-benzylpiperidin-4-yl)amino]octyl]-1H-isoindole-1,3(2H)-dione
Equus caballus
pH 8.0, 25°C
0.00039
2-[[5-acetyl-6-methyl-4-(4-phenoxyphenyl)-1,4-dihydropyrimidin-2-yl]sulfanyl]-N-phenylacetamide
Equus caballus
pH and temperature not specified in the publication
0.000017
3,3'-[butane-1,4-diylbis(oxy)]bis(5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinoline)
Equus caballus
-
pH and temperature not specified in the publication
0.00014
3,3'-[butane-1,4-diylbis(oxy)]bis(7-methyl-5,6,7,8,9,14-hexahydrodibenzo[d,g]azecine)
Equus caballus
-
pH and temperature not specified in the publication
0.000051
3,3'-[butane-1,4-diylbis(oxy)]bis(7-methyl-5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinolinium) diiodide
Equus caballus
-
pH and temperature not specified in the publication
0.00092
3,3'-[dodecane-1,12-diylbis(oxy)]bis(5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinoline)
Equus caballus
-
pH and temperature not specified in the publication
0.000036
3,3'-[dodecane-1,12-diylbis(oxy)]bis(7-methyl-5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinolinium) diiodide
Equus caballus
-
pH and temperature not specified in the publication
0.000014
3,3'-[hexane-1,6-diylbis(oxy)]bis(5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinoline)
Equus caballus
-
pH and temperature not specified in the publication
0.000027
3,3'-[hexane-1,6-diylbis(oxy)]bis(7-methyl-5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinolinium) diiodide
Equus caballus
-
pH and temperature not specified in the publication
0.00068
3,3'-[octane-1,8-diylbis(oxy)]bis(5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinoline)
Equus caballus
-
pH and temperature not specified in the publication
0.00021
3,3'-[octane-1,8-diylbis(oxy)]bis(7-methyl-5,6,7,8,9,14-hexahydrodibenzo[d,g]azecine)
Equus caballus
-
pH and temperature not specified in the publication
0.00011
3,3'-[octane-1,8-diylbis(oxy)]bis(7-methyl-5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinolinium) diiodide
Equus caballus
-
pH and temperature not specified in the publication
0.000017
3,3'-[pentane-1,5-diylbis(oxy)]bis(5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinoline)
Equus caballus
-
pH and temperature not specified in the publication
0.000047
3,3'-[pentane-1,5-diylbis(oxy)]bis(7-methyl-5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinolinium) diiodide
Equus caballus
-
pH and temperature not specified in the publication
0.00015
3,3'-[propane-1,3-diylbis(oxy)]bis(5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinoline)
Equus caballus
-
pH and temperature not specified in the publication
0.00016
3,3'-[propane-1,3-diylbis(oxy)]bis(7-methyl-5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinolinium) diiodide
Equus caballus
-
pH and temperature not specified in the publication
0.02
3-(4-propoxybenzyl)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
Equus caballus
-
above
0.0083
3-(4-[2-[diethenyl(methylidene)-l5-azanyl]ethoxy]benzyl)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
Equus caballus
-
-
0.0057
3-(4-[3-[diethenyl(methylidene)-l5-azanyl]propoxy]benzyl)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
Equus caballus
-
-
0.0064
3-methoxy-7-methyl-5,8,9,13b-tetrahydro-6H-isoquinolino[1,2-a]isoquinolinium iodide
Equus caballus
-
pH and temperature not specified in the publication
0.0000081
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
-
in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C
0.00031
3-oxo-N-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]butanamide
Equus caballus
pH 8.0, 37°C
0.00006
3-oxo-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]butanamide
Equus caballus
pH 8.0, 37°C
0.00016
3-oxo-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]butanamide
Equus caballus
pH 8.0, 37°C
0.00022
3-oxo-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]butanamide
Equus caballus
pH 8.0, 37°C
0.02
3-[4-[3-(diethylamino)propoxy]benzyl]-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
Equus caballus
-
above
0.000003
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
-
in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C
0.00052
4-[(4-[[6-(1H-indol-1-yl)hexyl]amino]piperidin-1-yl)methyl]phenol
Equus caballus
pH 8.0, 25°C
0.00034
4-[(4-[[8-(1H-indol-1-yl)octyl]amino]piperidin-1-yl)methyl]phenol
Equus caballus
pH 8.0, 25°C
0.00274
4-[4-[(diethylamino)methyl]phenoxy]-N,N-diethylbutan-1-amine
Equus caballus
-
pH and temperature not specified in the publication
0.01169
4-[4-[(diethylamino)methyl]phenoxy]-N,N-dipropylbutan-1-amine
Equus caballus
-
pH and temperature not specified in the publication
0.00442
5-[4-[(diethylamino)methyl]phenoxy]-N,N-diethylpentan-1-amine
Equus caballus
-
pH and temperature not specified in the publication
0.00178
5-[4-[(diethylamino)methyl]phenoxy]-N,N-dipropylpentan-1-amine
Equus caballus
-
pH and temperature not specified in the publication
0.0016
6,8-dibromo-2-(4-chlorophenyl)-2-methyl-2,3-dihydroquinazolin-4(1H)-one
Equus caballus
pH and temperature not specified in the publication
0.0132
6-chloro-2-methyl-9H-beta-carbolin-2-ium iodide
Equus caballus
-
pH and temperature not specified in the publication
0.0012
6-methoxy-1,2-dimethyl-9H-beta-carbolin-2-ium iodide
Equus caballus
-
pH and temperature not specified in the publication
0.00166
6-[4-[(diethylamino)methyl]phenoxy]-N,N-diethylhexan-1-amine
Equus caballus
-
pH and temperature not specified in the publication
0.00134
6-[4-[(diethylamino)methyl]phenoxy]-N,N-dipropylhexan-1-amine
Equus caballus
-
pH and temperature not specified in the publication
0.000048
8-[4-[(diethylamino)methyl]phenoxy]-N,N-diethyloctan-1-amine
Equus caballus
-
pH and temperature not specified in the publication
0.0000091
8-[4-[(diethylamino)methyl]phenoxy]-N,N-dipropyloctan-1-amine
Equus caballus
-
pH and temperature not specified in the publication
0.0158
9-O-[(2-(3-methyl)pyridinium bromide)ethyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.00282
9-O-[(2-pyridinium)bromide ethyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.00168
9-O-[(3-o xo-3-p-chlorophenylamino)propyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.00101
9-O-[(3-oxo-3-p-methoxyamino)propyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.00553
9-O-[(3-oxo-3-p-nitrophenylamino)propyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.00131
9-O-[(3-oxo-3-p-tolylamino)propyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.00218
9-O-[(3-oxo-3-phenylamino)propyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.0133
9-O-[(3-pyridinium bromide)propyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.00416
9-O-[3-(2-pyridinoxyl)butyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.00111
9-O-[3-(3-methyl pyridinium bromide)propyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.00544
9-O-[3-(4-bromo-phenoxyl)butyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.00424
9-O-[3-(4-bromo-phenoxyl)propyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.0022
9-O-[3-(4-chloro-phenoxyl) butyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.0018
9-O-[3-(4-chloro-phenoxyl)propyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.00286
9-O-[3-(4-methoxy-phenoxyl)-propyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.00229
9-O-[3-(4-methoxy-phenoxyl)butyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.00181
9-O-[3-(4-methyl-phenoxyl) propyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.00205
9-O-[3-(4-nitro-phenoxyl)butyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.00283
9-O-[3-(4-nitro-phenoxyl)propyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.00217
9-O-[3-(N-methyl-phenylamino)propyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.0011
9-O-[3-(naphthalen-2-yloxy)butyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.0022
9-O-[3-(naphthalen-2-yloxy)propyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.000078
9-O-[3-(naphthalene-2-ylthio)butyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.000548
9-O-[3-(naphthalene-2-ylthio)propyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.00176
9-O-[3-(phenylamino)propyl]-berberine bromide
Equus caballus
-
in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0), at 37°C
0.000267
N,N-bis(3-(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylideneamino)propyl) acetamide
Equus caballus
-
in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C
0.0000727
N,N-bis(3-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)acetamide
Equus caballus
-
in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C
7.4
N,N-di-sec-butyl-2-(1,3-dioxoisoindolin-2-yl)acetamide
Equus caballus
pH 8.0, 25°C
0.000015
N,N-dibutyl-10-[4-[(diethylamino)methyl]phenoxy]decan-1-amine
Equus caballus
-
pH and temperature not specified in the publication
6.5
N,N-dibutyl-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
Equus caballus
pH 8.0, 25°C
0.00252
N,N-dibutyl-4-[4-[(diethylamino)methyl]phenoxy]butan-1-amine
Equus caballus
-
pH and temperature not specified in the publication
0.0019
N,N-dibutyl-5-[4-[(diethylamino)methyl]phenoxy]pentan-1-amine
Equus caballus
-
pH and temperature not specified in the publication
0.00023
N,N-dibutyl-6-[4-[(diethylamino)methyl]phenoxy]hexan-1-amine
Equus caballus
-
pH and temperature not specified in the publication
0.000017
N,N-dibutyl-8-[4-[(diethylamino)methyl]phenoxy]octan-1-amine
Equus caballus
-
pH and temperature not specified in the publication
17.2
N,N-dicyclohexyl-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
Equus caballus
pH 8.0, 25°C
0.0000106
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
-
in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C
0.0000059
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
-
in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C
0.000004
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
-
in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C
0.0000431
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
-
in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C
0.0000377
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
-
in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C
0.0000129
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
-
in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C
0.0000255
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
-
in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C
0.0000463
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
-
in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C
136
N-(cyclohexyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-methylacetamide
Equus caballus
pH 8.0, 25°C
0.00019
N-ethyl-N-(4-[[10-(4-ethylpiperazin-1-yl)decyl]oxy]benzyl)ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.000033
N-ethyl-N-(4-[[10-(4-methylpiperazin-1-yl)decyl]oxy]benzyl)ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.000078
N-ethyl-N-(4-[[10-(piperidin-1-yl)decyl]oxy]benzyl)ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.000068
N-ethyl-N-(4-[[10-(pyrrolidin-1-yl)decyl]oxy]benzyl)ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.00308
N-ethyl-N-(4-[[5-(4-ethylpiperazin-1-yl)pentyl]oxy]benzyl)ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.00935
N-ethyl-N-(4-[[5-(4-methylpiperazin-1-yl)pentyl]oxy]benzyl)ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.00067
N-ethyl-N-(4-[[5-(piperidin-1-yl)pentyl]oxy]benzyl)ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.00154
N-ethyl-N-(4-[[5-(pyrrolidin-1-yl)pentyl]oxy]benzyl)ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.0022
N-ethyl-N-(4-[[6-(4-ethylpiperazin-1-yl)hexyl]oxy]benzyl)ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.00376
N-ethyl-N-(4-[[6-(4-methylpiperazin-1-yl)hexyl]oxy]benzyl)ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.00137
N-ethyl-N-(4-[[6-(piperidin-1-yl)hexyl]oxy]benzyl)ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.00128
N-ethyl-N-(4-[[6-(pyrrolidin-1-yl)hexyl]oxy]benzyl)ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.000014
N-ethyl-N-(4-[[8-(4-ethylpiperazin-1-yl)octyl]oxy]benzyl)ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.000011
N-ethyl-N-(4-[[8-(4-methylpiperazin-1-yl)octyl]oxy]benzyl)ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.0000073
N-ethyl-N-(4-[[8-(piperidin-1-yl)octyl]oxy]benzyl)ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.000015
N-ethyl-N-(4-[[8-(pyrrolidin-1-yl)octyl]oxy]benzyl)ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.02027
N-ethyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]benzyl]ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.0101
N-ethyl-N-[4-[2-(piperidin-1-yl)ethoxy]benzyl]ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.00973
N-ethyl-N-[4-[4-(4-methylpiperazin-1-yl)butoxy]benzyl]ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.00071
N-ethyl-N-[4-[4-(piperidin-1-yl)butoxy]benzyl]ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.0014
N-ethyl-N-[4-[4-(pyrrolidin-1-yl)butoxy]benzyl]ethanamine
Equus caballus
-
pH and temperature not specified in the publication
0.00813
N-[6-(1H-indol-1-yl)hexyl]-1-(4-methoxybenzyl)piperidin-4-amine
Equus caballus
pH 8.0, 25°C
0.00446
N-[8-(1H-indol-1-yl)octyl]-1-(4-methoxybenzyl)piperidin-4-amine
Equus caballus
pH 8.0, 25°C
0.0005471
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
-
in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C
0.0000813
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
-
in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C
0.000197
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
-
in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C
0.02
O-(4-bromo-2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl) O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0202
O-(4-bromo-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl) O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0199
O-(4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl) O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0156
O-(4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl) O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.015
O-(5-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl) O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0183
O-(5-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl) O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0151
O-[2-[(3-bromophenyl)carbamoyl]-4-chlorophenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0149
O-[2-[(3-bromophenyl)carbamoyl]-5-chlorophenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0151
O-[2-[(4-bromophenyl)carbamoyl]-4-chlorophenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0164
O-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0188
O-[4-bromo-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.02
O-[4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] diethyl phosphate
Equus caballus
-
pH and temperature not specified in the publication
0.0139
O-[4-bromo-2-[(3-chlorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0122
O-[4-bromo-2-[(3-fluorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0189
O-[4-bromo-2-[(4-bromophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0135
O-[4-bromo-2-[(4-chlorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0126
O-[4-bromo-2-[(4-fluorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0174
O-[4-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0148
O-[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0118
O-[4-chloro-2-[(3-fluorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0127
O-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0149
O-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0147
O-[5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0125
O-[5-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.00868
O-[5-chloro-2-[(3-fluorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0138
O-[5-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.00867
O-[5-chloro-2-[(4-fluorophenyl)-carbamoyl]phenyl] O,O-diethyl phosphorothioate
Equus caballus
-
pH and temperature not specified in the publication
0.0000064
tacrine
Equus caballus
-
in 100 mM potassium dihydrogen phosphate buffer, pH 8.0, at 25°C
SPECIFIC ACTIVITY [µmol/min/mg]
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
additional information
additional information
-
plasma BuChE before and after sarin inhalation exposure of untreated rats and animals pretreated with horse BuChE
pH OPTIMUM
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
7.5
pH RANGE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
5 - 7.5
-
a decrease in pH from 7.5 to 5.0 is accompanied by a 20fold drop in the rate of enzymatic hydrolysis of acetylcholine and a 5fold decrease in the case of phenylacetate. In the case of indophenyl acetate and 2,6-dichlorophenolindophenyl acetate, only a 2.5fold decrease is detected
TEMPERATURE OPTIMUM
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
22
25
37
TEMPERATURE RANGE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
25 - 37
-
activity at 25°C at low substrate concentrations is higher than at 37°C
ORGANISM
COMMENTARY
LITERATURE
UNIPROT
SEQUENCE DB
SOURCE
SOURCE TISSUE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
SOURCE
-
highly-purified formulation of BChE from equine serum
LOCALIZATION
ORGANISM
UNIPROT
COMMENTARY
GeneOntology No.
LITERATURE
SOURCE
-
-
-
GENERAL INFORMATION
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
physiological function
additional information
enzyme homology modeling, molecular modeling, overview
physiological function
-
butyrylcholinesterase is a serine hydrolase loosely related to the mammalian cholinergic system. It shows a nearly ubiquitous distribution among tissues and is abundant in plasma. In plasma, BChE protects the neurotransmitter function of its sister enzyme acetylcholinesterase (AChE, EC 3.1.1.7) by neutralizing toxins (including neuroactive pesticides, drugs, and a few other chemicals like food additives) before they reach AChE, while in the central nervous system as well as at the neuromuscular junction it serves as a backup to AChE by breaking down acetylcholine that has diffused out of the synaptic cleft
physiological function
the enzyme is thought to be primarily responsible for detoxification reactions in the serum, liver, lungs, and intestinal mucosa
UNIPROT
ENTRY NAME
ORGANISM
NO. OF AA
NO. OF TRANSM. HELICES
MOLECULAR WEIGHT[Da]
SOURCE
SEQUENCE
LOCALIZATION PREDICTION
The reliability class of the localization prediction ranges from 1 (very reliable) to 5 (not reliable).
The reliability class of the localization prediction ranges from 1 (very reliable) to 5 (not reliable). MOLECULAR WEIGHT
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
SUBUNIT
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
POSTTRANSLATIONAL MODIFICATION
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
side-chain modification
-
17.4% carbohydrate, including 3.2% N-acetylneuraminic acid
TEMPERATURE STABILITY
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
50
60
GENERAL STABILITY
ORGANISM
UNIPROT
LITERATURE
STORAGE STABILITY
ORGANISM
UNIPROT
LITERATURE
PURIFICATION (Commentary)
ORGANISM
UNIPROT
LITERATURE
CLONED (Commentary)
ORGANISM
UNIPROT
LITERATURE
APPLICATION
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
analysis
drug development
acetylcholinesterase, butyrylcholinesterase and beta-amyloid are the predominant biological targets in the search for anti-Alzheimer's agents
analysis
-
enzyme in immobilized forms has a potential application in environmental, water and air, pollution control as a functional part of monitoring system
analysis
-
covalent coupling of the enzyme to a copolymerisate of maleinic anhydride and butanedioldivinylether provides the possibility to yield stable enzyme preparations
REF.
AUTHORS
TITLE
JOURNAL
VOL.
PAGES
YEAR
ORGANISM (UNIPROT)
PUBMED ID
SOURCE
Main, A.R.; Tarkan, E.; Aull, J.L.; Soucie, W.G.
Purification of horse serum cholinesterase by preparative polyacrylamide gel electrophoresis
J. Biol. Chem.
247
566-571
1972
Equus caballus
Lee, J.C.; Harpst, J.A.
Physical properties and subunit structure of butyrylcholinesterase from horse serum
Biochemistry
12
1622-1630
1973
Equus caballus
Main, A.R.; Soucie, W.G.; Buxton, I.L.; Arinc, E.
The purification of cholinesterase from horse serum
Biochem. J.
143
733-744
1974
Equus caballus
Alsen, C.; Bertram, U.; Gersteuer, T.; Ohnesorge, F.K.
Studies on acetylcholinesterase and cholinesterase covalently bound to polymaleinic anhydride
Biochim. Biophys. Acta
377
297-302
1975
Equus caballus
Brown, S.S.; Kalow, W.; Pilz, W.; Whittaker, M.; Woronick, C.L.
The plasma cholinesterase: a new perspective
Adv. Clin. Chem.
22
1-123
1981
Canis lupus familiaris, Equus caballus, Homo sapiens, Mus musculus, Pleuronectes platessa, Pseudomonas aeruginosa, Rattus norvegicus, Sus scrofa
Kovacs, K.; Szajani, B.; Boross, L.
Preparation and properties of a novel immobilized cholinesterase
J. Appl. Biochem.
4
11-18
1982
Equus caballus
-
Jrv, J.; Speek, M.
Reversible inhibition of butyrylcholinesterase with aromatic hydrocarbons
Biochim. Biophys. Acta
706
174-178
1982
Equus caballus
Ralston, J.S.; Main, A.R.; Kilpatrick, B.F.; Chasson, A.L.
Use of procainamide gels in the purification of human and horse serum cholinesterases
Biochem. J.
211
243-250
1983
Equus caballus, Homo sapiens
Golicnik, M.; Sinko, G.; Simeon-Rudolf, V.; Grubic, Z.; Stojan, J.
Kinetic Model of ethopropazine Interaction with horse serum butyrylcholinesterase and its docking into the active site
Arch. Biochem. Biophys.
398
23-31
2002
Equus caballus
Wierdl, M.; Morton, C.L.; Danks, M.K.; Potter, P.M.
Isolation and characterization of a cDNA encoding a horse liver butyrylcholinesterase: evidence for CPT-11 drug activation
Biochem. Pharmacol.
59
773-781
2000
Equus caballus (Q9N1N9), Equus caballus
Saxena, A.; Fedorko, J.M.; Vinayaka, C.R.; Medhekar, R.; Radic, Z.; Taylor, P.; Lockridge, O.; Doctor, B.P.
Aromatic amino-acid residues at the active and peripheral anionic sites control the binding of E2020 (Aricept) to cholinesterases
Eur. J. Biochem.
270
4447-4458
2003
Equus caballus, Homo sapiens
Primozic, I.; Hrenar, T.; Tomic, S.; Meic, Z.
Stereoselective hydrolysis of quaternary quinuclidinium benzoates catalyzed by butyrylcholinesterase
Eur. J. Org. Chem.
2003
295-301
2003
Equus caballus
-
Zhukovskii, Y.G.
On establishment of individuality of the cholinesterase enzyme in the studied preparation
J. Evol. Biochem. Physiol.
39
281-290
2003
Equus caballus
-
Zhan, C.G.; Gao, D.
Catalytic mechanism and energy barriers for butyrylcholinesterase-catalyzed hydrolysis of cocaine
Biophys. J.
89
3863-3872
2005
Equus caballus
Lin, G.; Lee, Y.R.; Liu, Y.C.; Wu, Y.G.
Ortho effects for inhibition mechanisms of butyrylcholinesterase by o-substituted phenyl N-butyl carbamates and comparison with acetylcholinesterase, cholesterol esterase, and lipase
Chem. Res. Toxicol.
18
1124-1131
2005
Equus caballus
Rozengart, E.V.; Basova, N.E.
Elementorganic bisonium reversible inhibitors of different cholinesterases
Dokl. Biochem. Biophys.
395
99-103
2004
Equus caballus, Berryteuthis magister
Chiou, S.Y.; Lai, G.W.; Tsai, Y.H.; Lee, Y.R.; Lin, L.Y.; Lin, G.L.
Kinetics and mechanisms of acetylcholinesterase and butyrylcholinesterase inhibition by cardiovascular drugs and benzodiazepines
J. Chin. Chem. Soc.
52
843-848
2005
Equus caballus
-
Bajgar, J.; Bartosova, L.; Kuca, K.; Jun, D.; Fusek, J.
Changes of cholinesterase activities in the rat blood and brain after sarin intoxication pretreated with butyrylcholinesterase
Drug Chem. Toxicol.
30
351-359
2007
Equus caballus, Rattus norvegicus
Chiou, S.Y.; Wu, Y.G.; Lin, Y.F.; Lin, L.Y.; Lin, G.
Substrate activation of butyrylcholinesterase and substrate inhibition of acetylcholinesterase by 3,3-dimethylbutyl-N-n-butylcarbamate and 2-trimethylsilyl-ethyl-N-n-butylcarbamate
J. Biochem. Mol. Toxicol.
21
24-31
2007
Equus caballus
Rozengart, E.V.; Basova, N.E.; Suvorov, A.A.
How thionphosphonates inhibit activity of different cholinesterases
J. Evol. Biochem. Physiol.
43
164-173
2007
Equus caballus, Berryteuthis magister
-
Zdrazilova, P.; Stepankova, S.; Komersova, A.; Vranova, M.; Komers, K.; Cegan, A.
Kinetics of 13 new cholinesterase inhibitors
Z. Naturforsch. C
61
611-617
2006
Equus caballus
Chiou, S.Y.; Wu, Y.G.; Lin, G.
Activation mechanisms of butyrylcholinesterase by 2,4,6-trinitrotoluene, 3,3-dimethylbutyl-N-n-butylcarbamate, and 2-trimethylsilyl-ethyl-N-n-butylcarbamate
Appl. Biochem. Biotechnol.
150
337-344
2008
Equus caballus
Yuecel, Y.Y.; Tacal, O.; Ozer, I.
Comparative effects of cationic triarylmethane, phenoxazine and phenothiazine dyes on horse serum butyrylcholinesterase
Arch. Biochem. Biophys.
478
201-205
2008
Equus caballus
Pan, L.; Tan, J.H.; Hou, J.Q.; Huang, S.L.; Gu, L.Q.; Huang, Z.S.
Design, synthesis and evaluation of isaindigotone derivatives as acetylcholinesterase and butyrylcholinesterase inhibitors
Bioorg. Med. Chem. Lett.
18
3790-3793
2008
Equus caballus
Loizzo, M.R.; Tundis, R.; Menichini, F.; Menichini, F.
Natural products and their derivatives as cholinesterase inhibitors in the treatment of neurodegenerative disorders: an update
Curr. Med. Chem.
15
1209-1228
2008
Equus caballus, Homo sapiens
Ahmad, I.; Fatima, I.
Butyrylcholinesterase, lipoxygenase inhibiting and antifungal alkaloids from Isatis tinctoria
J. Enzyme Inhib. Med. Chem.
23
313-316
2008
Equus caballus
Al-Aboudi, A.; Odeh, H.; Khalid, A.; Naz, Q.; Choudhary, M.I.
Butyrylcholinesterase inhibitory activity of testosterone and some of its metabolites
J. Enzyme Inhib. Med. Chem.
24
553-558
2008
Equus caballus
Rozengart, E.V.; Basova, N.E.
Thiosubstrates of cholinesterases of different origin
J. Evol. Biochem. Physiol.
44
12-23
2008
Columba livia, Oryctolagus cuniculus, Drosophila melanogaster, Equus caballus, Helicoverpa armigera, Locusta migratoria migratorioides, Musca domestica, Nippostrongylus brasiliensis, no activity in Bos taurus, no activity in Zea mays, Todarodes pacificus, Triatoma infestans, Schizaphis graminum, Berryteuthis magister, Acyrthosiphon pisum, Neogale vison, Delia floralis, Delia antiqua, Coccinella septempunctata, Berryteuthis anonychus, Gonatus kamtschaticus, Eogonatus tinro, Gonatopsis borealis, no activity in Solanum melongena, no activity in Tetranychus urticae, no activity in Acheta domesticus, no activity in Triatoma infestans, no activity in Branchiostoma floridae, no activity in Electrophorus electricus, no activity in Torpedo marmorata
-
Orhan, I.; Tosun, F.; Sener, B.
Coumarin, anthroquinone and stilbene derivatives with anticholinesterase activity
Z. Naturforsch. C
63
366-370
2008
Equus caballus
Orhan, I.; Kartal, M.; Kan, Y.; Sener, B.
Activity of essential oils and individual components against acetyl- and butyrylcholinesterase
Z. Naturforsch. C
63
547-553
2008
Equus caballus
Debord, J.; Harel, M.; Verneuil, B.; Bollinger, J.; Dantoine, T.
Microcalorimetric study of the inhibition of butyrylcholinesterase by paraoxon
Anal. Biochem.
389
97-101
2009
Equus caballus
Jung, H.A.; Lee, E.J.; Kim, J.S.; Kang, S.S.; Lee, J.H.; Min, B.S.; Choi, J.S.
Cholinesterase and BACE1 inhibitory diterpenoids from Aralia cordata
Arch. Pharm. Res.
32
1399-1408
2009
Equus caballus
Jung, H.A.; Jung, Y.J.; Hyun, S.K.; Min, B.S.; Kim, D.W.; Jung, J.H.; Choi, J.S.
Selective cholinesterase inhibitory activities of a new monoterpene diglycoside and other constituents from Nelumbo nucifera stamens
Biol. Pharm. Bull.
33
267-272
2010
Equus caballus
Menichini, F.; Tundis, R.; Loizzo, M.; Bonesi, M.; Marrelli, M.; Statti, G.; Menichini, F.; Conforti, F.
Acetylcholinesterase and butyrylcholinesterase inhibition of ethanolic extract and monoterpenes from Pimpinella anisoides V Brig. (Apiaceae)
Fitoterapia
80
297-300
2009
Equus caballus
Orhan, I.; Senol, F.; Kartal, M.; Dvorska, M.; Zemlicka, M.; Smejkal, K.; Mokry, P.
Cholinesterase inhibitory effects of the extracts and compounds of Maclura pomifera (Rafin.) Schneider
Food Chem. Toxicol.
47
1747-1751
2009
Equus caballus
Schulze, M.; Siol, O.; Decker, M.; Lehmann, J.
Bivalent 5,8,9,13b-tetrahydro-6H-isoquino[1,2-a]isoquinolines and -isoquinolinium salts: Novel heterocyclic templates for butyrylcholinesterase inhibitors
Bioorg. Med. Chem. Lett.
20
2946-2949
2010
Equus caballus
Yu, L.; Cao, R.; Yi, W.; Yan, Q.; Chen, Z.; Ma, L.; Peng, W.; Song, H.
Synthesis of 4-[(diethylamino)methyl]-phenol derivatives as novel cholinesterase inhibitors with selectivity towards butyrylcholinesterase
Bioorg. Med. Chem. Lett.
20
3254-3258
2010
Equus caballus
Huang, L.; Luo, Z.; He, F.; Lu, J.; Li, X.
Synthesis and biological evaluation of a new series of berberine derivatives as dual inhibitors of acetylcholinesterase and butyrylcholinesterase
Bioorg. Med. Chem.
18
4475-4484
2010
Equus caballus
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
Bioorg. Med. Chem.
19
1222-1235
2011
Equus caballus
Moralev, S.N.; Tikhonov, D.B.
Investigation of structure-activity relationships in organophosphates-cholinesterase interaction using docking analysis
Chem. Biol. Interact.
187
153-156
2010
Equus caballus
Rozengart, E.; Basova, N.
Activatory effect of substrates on the cholinesterase catalysis
Dokl. Biochem. Biophys.
430
7-10
2010
Equus caballus
Basova, N.; Rozengart, E.
How various substrates activate the process of enzymatic hydrolysis by different cholinesterases
J. Evol. Biochem. Physiol.
46
580-584
2010
Equus caballus, Todarodes pacificus
-
Stojan, J.
The significance of low substrate concentration measurements for mechanistic interpretation in cholinesterases
Chem. Biol. Interact.
203
44-50
2013
Equus caballus
Vinsova, J.; Kratky, M.; Komloova, M.; Dadapeer, E.; Stepankova, S.; Vorcakova, K.; Stolarikova, J.
Diethyl 2-(phenylcarbamoyl)phenyl phosphorothioates: synthesis, antimycobacterial activity and cholinesterase inhibition
Molecules
19
7152-7168
2014
Equus caballus
Torres, J.M.; Lira, A.F.; Silva, D.R.; Guzzo, L.M.; SantAnna, C.M.; Kuemmerle, A.E.; Rumjanek, V.M.
Structural insights into cholinesterases inhibition by harmane beta-carbolinium derivatives: A kinetics-molecular modeling approach
Phytochemistry
81
24-30
2012
Equus caballus
Ali, M.Y.; Seong, S.H.; Jung, H.A.; Jannat, S.; Choi, J.S.
Kinetics and molecular docking of dihydroxanthyletin-type coumarins from Angelica decursiva that inhibit cholinesterase and BACE1
Arch. Pharm. Res.
41
753-764
2018
Equus caballus (P81908)
Fogle, E.J.; Marlier, J.F.; Stillman, A.; Gao, X.; Rao, Y.; Robins, L.I.
An investigation into the butyrylcholinesterase-catalyzed hydrolysis of formylthiocholine using heavy atom kinetic isotope effects
Bioorg. Chem.
65
57-60
2016
Equus caballus (P81908)
Sultana, N.; Sarfraz, M.; Tanoli, S.T.; Akram, M.S.; Sadiq, A.; Rashid, U.; Tariq, M.I.
Synthesis, crystal structure determination, biological screening and docking studies of N1-substituted derivatives of 2,3-dihydroquinazolin-4(1H)-one as inhibitors of cholinesterases
Bioorg. Chem.
72
256-267
2017
Equus caballus (P81908)
Wieckowska, A.; Wieckowski, K.; Bajda, M.; Brus, B.; Salat, K.; Czerwinska, P.; Gobec, S.; Filipek, B.; Malawska, B.
Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with beta-amyloid anti-aggregation properties and beneficial effects on memory in vivo
Bioorg. Med. Chem.
23
2445-2457
2015
Equus caballus (P81908)
Liu, Z.; Fang, L.; Zhang, H.; Gou, S.; Chen, L.
Design, synthesis and biological evaluation of multifunctional tacrine-curcumin hybrids as new cholinesterase inhibitors with metal ions-chelating and neuroprotective property
Bioorg. Med. Chem.
25
2387-2398
2017
Equus caballus (P81908)
Mohammed, A.; Sneathen, J.; Frojen, S.G.; Kuo, L.; Dupureur, C.M.
Stereospecific cholinesterase inhibition by O,S-diethylphenylphosphonothioate
Bioorg. Med. Chem.
25
3053-3058
2017
Equus caballus (P81908), Equus caballus
Nakayama, K.; Schwans, J.P.; Sorin, E.J.; Tran, T.; Gonzalez, J.; Arteaga, E.; McCoy, S.; Alvarado, W.
Synthesis, biochemical evaluation, and molecular modeling studies of aryl and arylalkyl di-n-butyl phosphates, effective butyrylcholinesterase inhibitors
Bioorg. Med. Chem.
25
3171-3181
2017
Equus caballus (P81908)
Begum, S.; Nizami, S.S.; Mahmood, U.; Masood, S.; Iftikhar, S.; Saied, S.
In-vitro evaluation and in-silico studies applied on newly synthesized amide derivatives of N-phthaloylglycine as butyrylcholinesterase (BChE) inhibitors
Comput. Biol. Chem.
74
212-217
2018
Equus caballus (P81908)
Terali, K.; Dalmizrak, O.; Hoti, Q.; Ozer, N.
Evaluation of the inhibitory effect of abamectin on mammalian butyrylcholinesterase enzyme kinetic and molecular docking studies
J. Environ. Sci. Health B
8
1-6
2018
Equus caballus
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