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Enzyme Nomenclature
Information on EC 1.8.1.12 - trypanothione-disulfide reductase
Word Map on EC 1.8.1.12
- 1.8.1.12
- trypanosoma
- parasite
- cruzi
- leishmania
-
trypanosomatids
- chagas
- brucei
-
trypanocidal
- leishmaniasis
- donovani
-
antitrypanosomal
- crithidia
- medicine
- trypanosomiasis
- fasciculata
-
antiparasitic
- infantum
- epimastigotes
-
flavoenzyme
-
antileishmanial
- promastigotes
-
tryparedoxin
- phenothiazine
- trypomastigotes
-
n1,n8-bisglutathionylspermidine
- glutathionylspermidine
- nifurtimox
- rhodesiense
-
kinetoplastida
- clomipramine
- congolense
-
antiprotozoal
- benznidazole
-
ovothiols
-
antichagasic
-
nitrofuran
- cruzipain
- promazine
- pharmacology
- ts2
- thioridazine
-
trypanothione-dependent
-
melarsen
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The enzyme appears in viruses and cellular organisms
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EC NUMBER 
COMMENTARY 
1.8.1.12
-
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RECOMMENDED NAME
GeneOntology No.
trypanothione-disulfide reductase
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REACTION
REACTION DIAGRAM
COMMENTARY
ORGANISM
UNIPROT
LITERATURE
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
; trypanothione disulfide is the oxidized form of N1,N8-bis(glutathionyl)-spermidine from the insect-parasitic trypanosomatid Crithidia fasciculata. The enzyme from Crithidia fasciculata is a flavoprotein (FAD), whose activity is dependent on a redox-active cystine at the active centre.
-
-
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
mechanistic scheme for NAD(P)H:disulfide oxidoreductases
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
mechanistic scheme for NAD(P)H:disulfide oxidoreductases
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
mechanistic scheme for NAD(P)H:disulfide oxidoreductases
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
hydride ion transfer reaction of the pro-S-hydrogen of NADPH to N5 of FAD, redox potentials
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
substrate binding mechanism, complex structure analysis, protease-like catalytic triade and electronic induced fit
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
neither the alpha-carboxy nor the alpha-amino function of the L-gamma-glutamyl group is essential for activity, can be replaced by uncharged benzyloxycarbonyl or tert-butyloxycarbonyl groups
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
substrate binding structure, structural model
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
molecular modeling of inhibitor binding using X-ray data
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
mechanistic reaction scheme, structure-function relation
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
reducing catalytic site CVNVGC
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REACTION TYPE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
oxidation
-
-
-
-
redox reaction
-
-
-
-
reduction
-
-
-
-
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PATHWAY
BRENDA Link
KEGG Link
MetaCyc Link
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SYSTEMATIC NAME
IUBMB Comments
trypanothione:NADP+ oxidoreductase
Trypanothione disulfide is the oxidized form of N1,N8-bis(glutathionyl)-spermidine from the insect-parasitic trypanosomatid Crithidia fasciculata. The enzyme from Crithidia fasciculata is a flavoprotein (FAD), whose activity is dependent on a redox-active cystine at the active centre. (cf. EC 1.8.1.7, glutathione-disulfide reductase)
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CAS REGISTRY NUMBER
COMMENTARY
102210-35-5
-
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ORGANISM
COMMENTARY
LITERATURE
UNIPROT
SEQUENCE DB
SOURCE
insect-parasitic trypanosomatid
-
-
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GENERAL INFORMATION
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
physiological function
physiological function
the enzyme is essential for parasite survival
physiological function
-
the enzyme is essential for parasite survival
-
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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
4-aminobutyryl-L-cysteinylglycyl-3-methylaminopropylamide disulfide + NADPH
?
-
substrate analogue
-
-
?
ajoene + NADPH
?
-
i.e. (E,Z)-4,5,9-trithiadodeca-1,6,11-triene-9-oxide, substrate and inhibitor
-
-
?
benzyloxycarbonyl-L-cysteinylglycyl-3-methylaminopropylamide disulfide + NADPH
?
-
substrate analogue
-
-
?
L-beta-aspartyl-L-cysteinylglycyl-3-methylaminopropylamide disulfide + NADPH
?
-
substrate analogue
-
-
?
L-cysteinylglycyl-3-methylaminopropylamide disulfide + NADPH
?
-
substrate analogue
-
-
?
L-gamma-glutamyl-L-cysteinylglycyl-3-methylaminopropylamide disulfide + NADPH
?
-
substrate analogue
-
-
?
tert-butyloxycarbonyl-L-cysteinylglycyl-3-methylaminopropylamide disulfide + NADPH
?
-
substrate analogue
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
trypanothione disulfide + beta-thio-NADPH
trypanothione + beta-thio-NADP+
-
wild-type and mutant enzymes
-
-
?
trypanothione disulfide + reduced 3-acetylpyridine adenine dinucleotide
trypanothione + oxidized 3-acetylpyridine adenine dinucleotide
-
wild-type and mutant enzymes
-
-
?
glutathionylspermidine disulfide + NADPH
2-glutathionylspermidine + NADP+
-
-
-
r
glutathionylspermidine disulfide + NADPH
2-glutathionylspermidine + NADP+
-
-
-
?
glutathionylspermidine disulfide + NADPH
2-glutathionylspermidine + NADP+
-
-
-
?
glutathionylspermidine disulfide + NADPH
2-glutathionylspermidine + NADP+
-
-
-
-
?
glutathionylspermidine disulfide + NADPH
2-glutathionylspermidine + NADP+
-
-
-
-
-
glutathionylspermidine disulfide + NADPH
2-glutathionylspermidine + NADP+
-
-
-
-
glutathionylspermidine disulfide + NADPH
2-glutathionylspermidine + NADP+
-
-
-
r
glutathionylspermidine disulfide + NADPH
2-glutathionylspermidine + NADP+
-
-
-
r
glutathionylspermidine disulfide + NADPH
2-glutathionylspermidine + NADP+
-
-
-
-
-
NADPH + trypanothione disulfide + H+
trypanothione + NADP+
-
100 microM NADPH, 105 or 93 microM trypanothione disulfide, pH 7.5, 25°C
-
-
?
NADPH + trypanothione disulfide + H+
trypanothione + NADP+
-
100 microM NADPH, 105 or 93 microM trypanothione disulfide, pH 7.5, 25°C
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
-
-
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
inhibitors are tested using the recombinant enzyme
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
-
inhibitors are tested using the recombinant enzyme
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
-
-
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
-
novel inhibitors are identified
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
-
-
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
-
-
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
-
-
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
-
inhibitors are tested using the recombinant enzyme
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
-
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
parasite soluble fraction
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
parasite soluble fraction
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
using the recombinant enzyme
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
-
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
-
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
high-throughput screening campaign of a library of 100000 lead-like compounds identified 2-iminobenzimidazoles as a novel class of trypanothione reductase inhibitors
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
using the recombinant enzyme
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
-
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
theoretical docking study, energy and structural output analysis is conducted on 72 nitrofuran derivatives in order to search for new and improved trypanothione reductase inhibitors
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
using the recombinant enzyme
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
highly specific for
-
r
trypanothione disulfide + NADPH
trypanothione + NADP+
-
trypanothione is the oxidized form of N1,N8-bis-(glutathionyl)spermidine, the latter form a stable adduct with melarsen oxide
-
r
trypanothione disulfide + NADPH
trypanothione + NADP+
-
protection against oxidative stress
-
-
-
trypanothione disulfide + NADPH
trypanothione + NADP+
-
recombinant glutathione-trypanothione reductase-like enzyme
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
trypanothione is the oxidized form of N1,N8-bis-(glutathionyl)spermidine, the latter form a stable adduct with melarsen oxide
-
-
trypanothione disulfide + NADPH
trypanothione + NADP+
-
scheme for trypanothione-dependent H2O2 metabolism
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
metabolizes H2O2, recombinant and wild-type cells
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
trypanothione is the oxidized form of N1,N8-bis-(glutathionyl)spermidine, the latter form a stable adduct with melarsen oxide
-
r
trypanothione disulfide + NADPH
trypanothione + NADP+
-
physiological function is to protect the organism from oxidative stress and to assist in maintaining low intracellular levels of hydrogen peroxide
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
highly specific for
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
kex enzyme in the tryanothione-based redox metabolism of pathogenic trypanosomes
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
i.e. bisglutathionylspermidine
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
-
-
-
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
ir
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
highly specific for trypanothione disulfide
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
additional information
?
-
-
naphthoquinones and nitrofuran derivatives are reduced, inhibition of the enzyme
-
-
-
additional information
?
-
-
reduces several trypanothione derivatives, e.g. N1-monoglutathionylspermidine, mixed disulfide of N1-monoglutathionylspermidine and glutathione
-
-
-
additional information
?
-
-
glutaryl-L-cysteinylglycyl-3-methylaminopropylamide disulfide is no substrate
-
-
-
additional information
?
-
-
enzyme is associated with infective capacity of the parasite
-
-
-
additional information
?
-
no activity with oxidized glutathione of the recombinant enzyme
-
-
-
additional information
?
-
no activity with oxidized glutathione of the recombinant enzyme
-
-
-
additional information
?
-
-
the rate of reduction of 0.05 mM glutathione disulfide is 0.03% of that obtained with 0.05 mM trypanothione disulfide
-
-
-
additional information
?
-
-
naphthoquinones and nitrofuran derivatives are reduced, inhibition of the enzyme
-
-
-
additional information
?
-
serve as subversive substrates in redox cycling activity: 3,3'-[polyaminobis(carbonylalkyl)]bis(1,4-naphthoquinone) derivatives, inhibitory and substrate activity depending on spacer length
-
-
-
additional information
?
-
-
chinifur increases the oxidation of the enzyme 40fold
-
-
-
additional information
?
-
-
wild-type enzyme shows transhydrogenase activity between NADPH and thio-NADP+
-
-
-
additional information
?
-
-
reduces 5,5'-dithiobis(2-nitrobenzamides)
-
-
-
additional information
?
-
-
recombinant mutants C53S, C53A, C58S: no activity with trypanothione disulfide and NADPH, but showing transhydrogenase activity between NADPH and thio-NADP+
-
-
-
additional information
?
-
-
reduces inhibitory nitrofurans, e.g. chinifur, nifuroxamide, nifuroxime and nifurprazine, and naphthoqinone derivatives
-
-
-
additional information
?
-
-
enzyme is required for maintaining the reducing intracellular environment
-
-
-
additional information
?
-
-
enzyme is required for maintaining the reducing intracellular redox equilibrium, trypanosomes lacking the enzyme are avirulent and show increased sensitivity to oxidative stress
-
-
-
additional information
?
-
-
wild-type enzyme shows transhydrogenase activity between NADPH and thio-NADP+
-
-
-
additional information
?
-
-
recombinant mutants C53S, C53A, C58S: no activity with trypanothione disulfide and NADPH, but showing transhydrogenase activity between NADPH and thio-NADP+
-
-
-
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NATURAL SUBSTRATES
NATURAL PRODUCTS
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
trypanothione disulfide + NADPH
trypanothione + NADP+
-
protection against oxidative stress
-
-
-
trypanothione disulfide + NADPH
trypanothione + NADP+
-
scheme for trypanothione-dependent H2O2 metabolism
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
metabolizes H2O2, recombinant and wild-type cells
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
physiological function is to protect the organism from oxidative stress and to assist in maintaining low intracellular levels of hydrogen peroxide
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
highly specific for
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
kex enzyme in the tryanothione-based redox metabolism of pathogenic trypanosomes
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
additional information
?
-
-
enzyme is associated with infective capacity of the parasite
-
-
-
additional information
?
-
-
enzyme is required for maintaining the reducing intracellular environment
-
-
-
additional information
?
-
-
enzyme is required for maintaining the reducing intracellular redox equilibrium, trypanosomes lacking the enzyme are avirulent and show increased sensitivity to oxidative stress
-
-
-
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COFACTOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
FAD
-
-
FAD
-
-
394775, 394776, 394779, 394780, 394781, 394784, 394785, 394788, 394790, 394791, 394793, 394794, 394797, 394800, 394803, 394804, 394805, 394808, 394809, 697340, 699454, 699618, 710883, 711757, 724552
NADPH
-
-
NADPH
-
highly specific for NADPH, activity with 0.15 mM NADH is only 5.7% of that obtained with 0.15 mM NADPH
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INHIBITORS
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
(1E)-1-(2-chlorophenyl)penta-1,4-dien-3-one
-
0.1 mM, irreversible inhibition
(1E)-1-[2-chloro-10-[3-(dimethylamino)propyl]-10,10a-dihydro-4aH-phenothiazin-8-yl]ethanone O-benzyloxime
-
-
(2E)-3-(5-nitrofuran-2-yl)-N-tricyclo[3.3.1.13,7]dec-1-ylprop-2-enamide
-
-
(2Z)-2-[(2E)-2-(3H-indol-3-ylidene)ethylidene]-1-methyl-1,2-dihydroquinoline
-
-
(3'R,4'R)-3'-carbamoyl-1'-(2-oxo-2-[[2-(phenylsulfanyl)phenyl]amino]ethyl)-1,4'-bipiperidinium
(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidinyl-1'-yl)(phenyl)-methanone
-
-
(4'-chloro-2,2':6',2''-terpyridine)platinum(II) ammine complex
-
irreversible, altering specifically the Cys52 residue in the active center, increased oxidase activity
(4-picoline) (4'-p-bromophenyl-2,2':6',2''-terpyridine)platinum(II) complex
-
irreversible, altering specifically the Cys52 residue in the active center, increased oxidase activity
(4E)-5-(2-chlorophenyl)-N,N,2,2-tetramethyl-3-oxopent-4-en-1-aminium chloride
-
0.1 mM, reversible inhibition
(4E)-5-(2-chlorophenyl)-N,N-dimethyl-3-oxopent-4-en-1-aminium chloride
-
0.1 mM, irreversible inhibition
(6-benzyloxycarbonylamino-6-[[[methyl-(2-propylamino-ethyl)-carbamoyl]-methyl]-carbamoyl]-1-[[(3-propylamino-propylcarbamoyl)-methyl]-carbamoyl]-hex-3-enyl)-carbamic acid benzyl ester
-
-
(6-benzyloxycarbonylamino-6-[[[methyl-(2-propylamino-ethyl)-carbamoyl]-methyl]-carbamoyl]-1-[[(3-propylamino-propylcarbamoyl)-methyl]-carbamoyl]-hexyl)-carbamic acid benzyl ester
-
-
1,1'-hexamethylenebis[5-(4-chlorophenyl)biguanide]
-
more than 90% inhibition at 0.1 mM
1,1'-[10-[3-(dimethylamino)propyl]-10,10a-dihydro-4aH-phenothiazine-2,8-diyl]diethanone
-
-
1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(3-benzyl-1,3-dihydro-2H-benzimidazol-2-imine)
-
-
1,1'-[methanediylbis(oxyethane-2,1-diyl)]bis(3-methyl-1,3-dihydro-2H-benzimidazol-2-imine)
-
IC50: 0.1 mM
1,1'-[methanediylbis(oxyethane-2,1-diyl)]bis(3-phenyl-1,3-dihydro-2H-benzimidazol-2-imine)
-
IC50: 0.004 mM
1,3-bis[3-(dimethylamino)propyl]-1,5-dihydro-2H-pyrimido[4,5-beta][1,4]benzothiazine-2,4(3H)-dione
1,6-dimethyl-3-(4-methylphenyl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
linear uncompetitive mode of inhibition
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-4-yl)methyl)piperazine
1-(1-methylpiperidin-3-yl)-3-(2-phenoxyethyl)-1,3-dihydro-2H-benzimidazol-2-imine
-
IC50: 0.1 mM
1-(1H-indol-5-yl)-N-[(4-methylpiperazin-1-yl)methyl]methanediamine
-
0.1 mM, 31% or 39% inhibition in the presence of 0.11 mM or 0.04 mM trypanothione disulfide, respectively
1-(2,4-dichlorophenoxy)-3-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]propan-2-ol
-
IC50: 0.005 mM
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)-1,3-dihydro-2H-benzimidazol-2-imine
-
IC50: 0.004 mM
1-(2-phenoxyethyl)-3-[2-(piperidin-1-yl)ethyl]-1,3-dihydro-2H-benzimidazol-2-imine
-
-
1-(3,4-dichlorobenzyl)-4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methylpiperazin-1-ium formate
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
1-(3,4-dichlorophenyl)-2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
-
IC50: 0.009 mM
1-(3,4-dichlorophenyl)-2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanone
-
IC50: 0.01 mM
1-(3,4-dichlorophenyl)-2-[3-[2-(dimethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
1-(3,4-dichlorophenyl)-3-[(4-ethylphenyl)amino]propan-1-one
-
containing two Cl groups and one NH-4-EtPh group
1-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)methanediamine
-
0.1 mM, 15% or 14% inhibition in the presence of 0.11 mM or 0.04 mM trypanothione disulfide, respectively
1-(3-phenoxypropyl)-3-(2-piperidin-1-ylethyl)-1,3-dihydro-2H-benzimidazol-2-imine
-
IC50: 0.007 mM
1-(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidinyl-1'-yl)-2-(dimethyl-amino)ethanone
-
-
1-(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidinyl-1'-yl)-2-phenyl-ethanone
-
-
1-(4-bromophenyl)-2-(3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethanol
-
IC50: 0.1 mM, 42% inhibition at 0.025 mM
1-(4-chlorophenyl)-3-morpholin-4-ylpropan-1-one
-
containing one Cl group and one N-morpholinyl group
1-(4-ethoxyphenyl)-2-(2-imino-3-prop-2-en-1-yl-2,3-dihydro-1H-benzimidazol-1-yl)ethanol
-
IC50: 0.1 mM, 6% inhibition at 0.025 mM
1-(4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N,2-trimethylpropan-2-amine
-
-
1-(5-phenoxypentyl)-3-(2-piperidin-1-ylethyl)-1,3-dihydro-2H-benzimidazol-2-imine
-
IC50: 0.008 mM
1-(methylsulfanyl)-4-[3-(methylsulfanyl)-1,2,4-triazin-5-yl]-5,6,7,8-tetrahydroisoquinoline
-
-
1-benzyl-4-[[(1E)-(1-cyclohexyl-2,4,6-trioxohexahydropyrimidin-5-yl)methylidene]amino]-1-methylpiperidinium
1-biphenyl-4-yl-2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanone
-
IC50: 0.025 mM
1-ethyl-6-methyl-3-(pyridin-3-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
1-ethyl-6-methyl-3-(thiophen-2-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
linear uncompetitive mode of inhibition
1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
1-ethyl-6-methyl-3-[(Z)-2-phenylethenyl]pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
1-ethyl-6-methyl-3-[4-(trifluoromethyl)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
1-[(4E)-5-(2-chlorophenyl)-3-oxopent-4-en-1-yl]piperidinium chloride
-
0.1 mM, irreversible inhibition
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
1-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yloxy)ethyl]-4-(3-phenyl-propyl)piperazine
-
-
1-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yloxy)ethyl]-4-(E)-(3-phenyl-allyl)piperazine
-
-
1-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yloxy)ethyl]-piperazine
-
-
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethyl-aminomethyl)-ferrocenylmethyl]-3-p-chloro-phenyl-urea
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-3-[2,6-bis-(trifluoromethyl)-phenyl]-urea
-
ferrocenic 4-aminoquinoline urea compound 8
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-p-methoxyphenyl-urea
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-p-tolyl-urea
-
ferrocenic 4-aminoquinoline urea compound 5
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-[2,4-bis-(trifluoromethyl)-phenyl]-urea
-
ferrocenic 4-aminoquinoline urea compound 7
1-[2-chloro-10-[3-(dimethylamino)propyl]-10,10a-dihydro-4aH-phenothiazin-8-yl]ethanone
-
-
1-[2-imino-3-(2-morpholin-4-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-phenoxypropan-2-ol
-
IC50: 0.1 mM
1-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3,3-dimethylbutan-2-ol
-
IC50: 0.1 mM, 66% inhibition at 0.025 mM
1-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
-
IC50: 0.016 mM
1-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-phenoxypropan-2-ol
-
IC50: 0.005 mM
1-[2-imino-3-(morpholin-4-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-(4-methylphenoxy)propan-2-ol
-
IC50: 0.1 mM
1-[2-imino-3-(piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-(4-methylphenoxy)propan-2-ol
-
IC50: 0.009 mM
1-[4-(methylsulfonyl)phenyl]-3-piperidin-1-ylpropan-1-one
-
containing one N-piperidyl group
10-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethyl)-10,10a-dihydro-4aH-phenothiazine
-
-
12-chloro-1,1-dimethyl-1,2,3,4,4a,13b-hexahydrodibenzo[2,3:6,7]thiepino[4,5-b]pyridin-1-ium
2,2'-(2-imino-1H-benzimidazole-1,3(2H)-diyl)bis(N,N-diethylethanamine)
-
IC50: 0.059 mM
2,2-dimethyl-3-(prop-2-en-1-yl)-3,4-dihydro-2H-benzo[h]chromene-5,6-dione
-
-
2,3-Bis(3-(2-amidinohydrazono)-butyl)-1,4-naphthoquinone dihydrochloride
-
-
2-(1-[3-[2-(trifluoromethyl)-4a,10a-dihydro-10H-phenothiazin-10-yl]propyl]piperidin-4-yl)ethanol
-
-
2-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-diethyl-2-oxoethanamine
-
-
2-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-diethylethanamine
-
-
2-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-dimethylethanamine
-
-
2-(3-benzyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)-1-(4-chlorophenyl)ethanol
-
IC50: 0.1 mM, 32% inhibition at 0.025 mM
2-(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidinyl-1'-yl)-N,N-dimethylethanamine
-
-
2-(4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl)naphthalene-1,4-dione
-
non-competitive inibition, 79% inhibition at 0.05 mM
2-(5-Nitro-2-furanylmethylidene)-N,N'-(1,4-piperazinediylbis(1,3-propanediyl))bishydrazinecarboximidamide tetrahydrobromide
-
-
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
2-chloro-10-(3-(4-(3-phenylpropyl)piperazin-1-yl)propyl)-10H-phenothiazine
-
-
2-chloro-10-[3-[(Z)-propyldiazenyl]propyl]-10,10a-dihydro-4aH-phenothiazine
-
-
2-methoxy-6-chloro-9-aminoacridine/2-hydroxyethanethiolate (2,2':6',2''-terpyridine)platinum(II) complex
-
4 chimeric compound variants, competitive and irreversible inhibition, probably Cys52 of the enzyme is specifically modified, 4'-substituted (terpyridine)platinum(II) containing complexes do not inhibit irreversibly
2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-5-(phenylamino)-2,5-dihydro-1,3,4-thiadiazol-3-ium chloride
2-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanol
-
IC50: 0.024 mM, 85% inhibition at 0.025 mM
2-[3-(2-chloro-10H-phenothiazin-10-yl)-3-oxopropyl]octahydro-2H-pyrido[1,2-a]pyrazinediium
2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
-
IC50: 0.007 mM, 91% inhibition at 0.025 mM
2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methylphenyl)ethanol
-
IC50: 0.019 mM
2-[3-[2-(dimethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methylphenyl)ethanol
-
IC50: 0.029 mM
2-[3-[2-(dimethylamino)propyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methylphenyl)ethanol
-
IC50: 0.035 mM
2-[4-(1H-indol-3-ylacetyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
-
23% inhibition at 0.1 mM
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-5-methoxycyclohexa-2,5-diene-1,4-dione
-
non-competitive inibition, 75% inhibition at 0.1 mM
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]naphthalene-1,4-dione
-
mixed-type inhibition, 57% inhibition at 0.1 mM
2-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-(pentafluorobenzyl)-2-oxoethanaminium formate
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-[(5-nitro-2-furyl)methyl]-2-oxoethanaminium formate
3',4'-dichlorobenzyl-[5-chloro-2-(phenylsulfanylphenylamino)-propyl]-dimethylammonium chloride
-
-
3,3'-[butane-1,4-diylbis[(3-aminopropyl)imino]]bis(N-[5-chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl]propanamide)
-
IC50: 0.0003 mM
3,3'-[polyaminobis(carbonylalkyl)]bis(1,4-naphthoquinone) derivatives
-
-
-
3,4-dichloro-N-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-N,N-dimethylanilinium
-
-
3,4-dichloro-N-[3-([2-[(4-chlorophenyl)sulfanyl]phenyl]amino)propyl]-N,N-dimethylanilinium
-
-
3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethyl-N-(4-methylbenzyl)propan-1-aminium
-
-
3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethyl-N-(pentafluorobenzyl)propan-1-aminium
-
-
3-(2-chloro-10H-phenothiazin-10-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium
-
-
3-(2-chloro-10H-phenothiazin-10-yl)-N-(3,4-dimethylbenzyl)-N,N-dimethylpropan-1-aminium
-
-
3-(2-chloro-10H-phenothiazin-10-yl)-N-(3,5-dimethoxybenzyl)-N,N-dimethylpropan-1-aminium
-
-
3-(2-chloro-10H-phenothiazin-10-yl)-N-[4-(cyclohexylmethyl)benzyl]-N,N-dimethylpropan-1-aminium
-
-
3-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-diethyl-3-oxopropan-1-amine
-
-
3-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-diethylpropan-1-amine
-
-
3-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N-methylpropan-1-amine
-
-
3-(2-chloro-5-oxido-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine
-
-
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-oxopropan-1-aminium chloride
-
containing two Cl groups and one NMe2 HCl group
3-(4-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine
-
-
3-(4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
-
-
3-(5-bromo-2-fluorophenyl)-1-butyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-(5-bromo-2-fluorophenyl)-1-cyclopentyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-(5-bromo-2-fluorophenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-(5-bromo-2-fluorophenyl)-6-methyl-1-(propan-2-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-(5-bromo-2-fluorophenyl)-6-methylpyrimido[5,4-e,1,2,4]triazine-5,7(1H,6H)dione
-
-
3-(5-bromo-2-fluorophenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-(5-bromothiophen-2-yl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
3-([2-[(4-tert-butylphenyl)amino]-5-fluorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
mixed-type inhibition
3-([5-chloro-2-[(4'-methylbiphenyl-4-yl)thio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
3-([5-chloro-2-[1-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride
3-([5-chloro-2-[2-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride
3-benzyl-1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
3-Benzyl-1-[3-(7-chloro-quinolin-4-ylamino)-propyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
-
-
3-Benzyl-1-[4-(7-chloro-quinolin-4-ylamino)-butyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
-
-
3-Benzyl-1-[6-(7-chloro-quinolin-4-ylamino)-hexyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
-
-
3-[(2,3-dimethylphenyl)amino]-1-(3-nitrophenyl)propan-1-one
-
containing one NH-2,3-diMePh group
3-[(3-fluorophenyl)amino]-1-(3-nitrophenyl)propan-1-one
-
containing one NH-3-FPh group
3-[(5-chloro-2-[[2-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
3-[(5-chloro-2-[[3-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
3-[2-(aminomethyl)-10H-phenothiazin-10-yl]-N,N-dimethylpropan-1-aminium
-
-
3-[2-(hydroxymethyl)-10H-phenothiazin-10-yl]-N,N-dimethylpropan-1-aminium
-
-
3-[2-(methoxycarbonyl)-10H-phenothiazin-10-yl]-N,N-dimethylpropan-1-aminium
-
-
3-[2-[(1E)-N-benzyl-N-oxidoethanimidoyl]-10H-phenothiazin-10-yl]-N,N-dimethylpropan-1-aminium
-
-
3-[2-[(E)-(hydroxyimino)methyl]-10H-phenothiazin-10-yl]-N,N-dimethylpropan-1-aminium
-
-
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
4,4'-bis(4-benzyloxy-3-methoxybenzimidoylamino)di-cyclohexylmethane
-
97% inhibition at 0.1 mM, in the presence of 0.1 mM trypanothione disulfide
4,6,8-trimethyl-N-(4,4,6-trimethyl-1,4-dihydropyrimidin-2-yl)quinazolin-2-amine
-
-
4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine
-
most active inhibitor
4-(2-(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidin-1'-yl)ethyl)morpholine
-
-
4-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-4-oxo-N'-phenylbutanehydrazide
-
-
4-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-diethyl-4-oxobutan-1-amine
-
-
4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methyl-1-(pentafluorobenzyl)piperazin-1-ium formate
4-(azepan-1-ylmethyl)-2,6-di-tert-butylphenol
-
containing one Bu group and one N-homopiperidylde group
4-(benzofuroxan-5-ylmethyloxy)benzaldehyde amidinohydrazone
-
50% of inhibition at a inhibitor dose of 0.1 mM, 30% of inhibition at a inhibitor dose of 0.04 mM
4-(benzyloxy)-N-[3-([2-[(4-chlorophenyl)sulfanyl]phenyl]amino)propyl]-N,N-dimethylanilinium
-
-
4-[(4E)-5-(2-chlorophenyl)-3-oxopent-4-en-1-yl]morpholin-4-ium chloride
-
0.1 mM, irreversible inhibition
4-[(dimethylamino)methyl]-2,6-bis(1-methylethyl)phenol
-
containing one Pr group and one NMe2 group
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
4-[6-[(3-chlorophenyl)carbamoyl]-4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-1-methylpiperazin-1-ium
5,5'-dithiobis(N-[3-(4-methylpiperazin-1-yl)propyl]-2-nitrobenzamide)
-
recombinant enzyme
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-1-ylphenyl)sulfanyl]aniline
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-2-ylphenyl)sulfanyl]aniline
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-pyridin-2-ylphenyl)sulfanyl]aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[2-(trifluoromethyl)phenyl]sulfanyl]aniline
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfanyl]aniline
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[4-(trifluoromethyl)phenyl]sulfanyl]aniline
6,7-bis[2-(dimethylamino)ethoxy]-2-[4-(1H-indol-3-ylacetyl)piperazin-1-yl]quinazolin-4-amine
-
44% inhibition at 0.05 mM
6,7-dimethoxy-2-[4-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]piperazin-1-yl]quinazolin-4-amine
-
complete inhibition at 0.1 mM
6,7-dimethoxy-2-[4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]piperazin-1-yl]quinazolin-4-amine
-
complete inhibition at 0.1 mM
6-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-diethyl-6-oxohexan-1-amine
-
-
6-bromo-2-(5-methylfuran-2-yl)-N-(2-morpholinoethyl)quinoline-4-carboxamide
-
linear mixed-type inhibition
6-bromo-2-(5-methylfuran-2-yl)-N-(4-sulfamoylbenzyl)quinoline-4-carboxamide
-
-
6-bromo-2-(5-methylfuran-2-yl)-N-(morpholin-4-yl)quinoline-4-carboxamide
-
-
6-bromo-2-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
-
linear mixed-type inhibition
6-bromo-2-(5-methylfuran-2-yl)-N-(pyridin-3-yl)quinoline-4-carboxamide
-
-
6-bromo-N,N,N-trimethyl-2-(2-(5-methylfuran-2-yl)quinoline-4-carboxamido)ethanaminium iodide
-
-
6-bromo-N-(2-(dimethylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
linear mixed-type inhibition
6-bromo-N-(2-(dimethylamino)ethyl)-2-(5-methylthiophen-2-yl)-quinoline-4-carboxamide
-
-
6-bromo-N-(2-(dimethylamino)ethyl)-2-(furan-2-yl)quinoline-4-carboxamide
-
-
6-bromo-N-(2-(methylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
6-bromo-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
6-bromo-N-[2-(dimethylamino)ethyl]-2-(pyridin-4-yl)quinoline-4-carboxamide
-
-
6-bromo-N-[3-(1H-imidazol-1-ylamino)propyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
6-chloro-2-(5-methylfuran-2-yl)-N-[3-(morpholin-4-yl)propyl]quinoline-4-carboxamide
-
-
6-chloro-N-(2-(dimethylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
6-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
-
-
7-bromo-N-(2-(dimethylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
7-ethoxy-4-methyl-N-(4,4,6-trimethyl-4,5-dihydropyrimidin-2-yl)quinazolin-2-amine
-
-
7-ethyl-4-methyl-N-(4,4,6-trimethyl-4,5-dihydropyrimidin-2-yl)quinazolin-2-amine
-
-
7-methoxy-N-[2-([[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl)-3-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl]-4a,9a-dihydroacridin-2-amine
8-bromo-N-(2-(dimethylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
Ac-PKIIQSVGISMKM-NH2
-
the enzyme is almost completely inactivated after 50 min (3000 s) in the presence of 0.025 mM
benzofuroxan-5-carboxaldehyde thiosemicarbazone
-
19% of inhibition at a inhibitor dose of 0.1 mM, 9% of inhibition at a inhibitor dose of 0.04 mM
benzoyl-Gly-L-Arg-L-Arg-L-Leu-beta-naphthylamide
-
reversible and competitive inhibition
benzoyl-L-Leu-L-Arg-L-Arg-beta-naphthylamide
-
reversible and competitive inhibition
benzoyl-L-Phe-L-Val-L-Arg-7-amido-4-methylcoumarin
-
reversible and competitive inhibition
benzyloxycarbonyl-Ala-Arg-Arg-4-methoxy-beta-naphthylamide
-
reversible and competitive inhibition
benzyloxycarbonyl-Gly-Gly-L-Arg-7-amido-4-methylcoumarin
-
reversible and competitive inhibition
benzyloxycarbonyl-L-Arg-L-Arg-4-methoxy-beta-naphthylamide
-
reversible and competitive inhibition
benzyloxycarbonyl-L-Arg-L-Arg-p-nitroanilide
-
reversible and competitive inhibition
benzyloxycarbonyl-L-Arg-p-nitroanilide
-
reversible and competitive inhibition
benzyloxycarbonyl-L-Lys-4-methoxy-beta-naphthylamide
-
reversible and competitive inhibition
bis(9H-fluoren-9-ylmethyl) [(18S,23S)-3,14,17,24-tetraoxo-1,4,8,13,16-pentaazacyclotetracosane-18,23-diyl]biscarbamate
-
lack the disulfide and trypanothione's gamma-glutamyl groups have been replaced by hydrophobic aromatic moieties
bisbenzylisoquinoline alkaloids
-
e.g. cepharanthine, (-)curine, daphnoline, antioquine, limacine, cycleanine
-
butyl 4-[[3-(3-nitrophenyl)-3-oxopropyl]amino]benzoate
-
containing one NH-4-(CO2-nBu)Ph group
cis-3-(1,3-dioxolan-2-yl)-8-bromo-9b-(trans-acrylic acid)-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
0.1 mM
cis-3-oxo-8,9b-bis-(trans-N-(acrylamidospermidyl))-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
IC50: 0.029 mM
cis-3-oxo-8,9b-bis-(trans-N3-(dimethylamino)propylacrylamido)-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
0.1 mM
cis-3-oxo-8-trans-(N-acrylamidospermidyl)-9b-trans-ethylacrylyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
IC50: 0.056 mM
cis-3-oxo-8-trans-(N1-acrylamidospermidyl)-9b-trans-ethylacrylyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
-
crude extract of Lentinus strigosus
-
100% inhibition of trypanothione reductase
-
dethiotrypanothione
-
trypanothione disulfide analogue 2, lack the disulfide
dibenzyl [(18S,23S)-3,14,17,24-tetraoxo-1,4,8,13,16-pentaazacyclotetracosane-18,23-diyl]biscarbamate
-
lack the disulfide and trypanothione's gamma-glutamyl groups have been replaced by hydrophobic aromatic moieties
eupomatenoid-5
-
eupomatenoid-5 decreases enzyme activity, leading to a relative increase in reactive oxygen species that triggers mitochondrial depolarization followed by an absolute increase in mitochondrial reactive oxygen and nitrogen species production through the electron transport chain. This increase in reactive oxygen and nitro-gen species induces oxidative damage, leading to parasite death
heptyl (2E)-2-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazinecarboxylate
-
-
hypnophilin
-
100% inhibition of trypanothione reductase, reduces the proliferation of human peripheral blood monocluear cells, not cytotoxic for lymphocytes and monocytes
L-Phe-L-Pro-L-Arg-4-methoxy-beta-naphthylamide
-
reversible and competitive inhibition
N'-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N,N-dimethylethane-1,2-diamine
N'-(5-chloro-2-[[2-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine
N'-(5-chloro-2-[[3-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine
-
-
N'-(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine
N'-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-N,N-dimethyl-1,2-ethanediamine
N'-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N,N-dimethylethane-1,2-diamine
N,N'-(furan-2,5-diyldibenzene-4,1-diyl)diacetamide
-
IC50: 0.0485 mM, 54% inhibition at 0.02 mg/ml
N,N-diethyl-2-(2-imino-3-prop-2-en-1-yl-2,3-dihydro-1H-benzimidazol-1-yl)ethanamine
-
IC50: 0.1 mM, 31% inhibition at 0.025 mM
N,N-diethyl-2-[2-imino-3-(2-phenoxyethyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanamine
-
IC50: 0.008 mM
N,N-dimethyl-3-(3-nitrophenyl)-3-oxopropan-1-aminium chloride
-
containing one NMe2 HCl group
N,N-dimethyl-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-aminium
-
-
N,N-dimethyl-3-[2-[(1E)-N-methyl-N-oxidoethanimidoyl]-10H-phenothiazin-10-yl]propan-1-aminium
-
-
N,N-dimethyl-3-[4-(methylsulfonyl)phenyl]-3-oxopropan-1-aminium chloride
-
containing one NMe2 HCl group
N-(2-(dimethylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
N-(2-(dimethylamino)ethyl)-6-fluoro-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
N-(2-phenoxyethyl)-N'-(2-piperidin-1-ylethyl)benzene-1,2-diamine
-
IC50: 0.1 mM
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-2-(4-methylpiperazin-1-yl)acetamide
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N2,N2-dimethylglycinamide
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
N-(3,4-dichlorobenzyl)-2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-2-oxoethanaminium
N-(3,4-dichlorobenzyl)-3-[(5-fluoro-2-[[4-(pentafluoro-l6-sulfanyl)phenyl]amino]phenyl)amino]-N,N-dimethylpropan-1-aminium chloride
-
mixed-type inhibition
N-(3,4-dichlorobenzyl)-3-[(5-fluoro-2-[[4-(trifluoromethyl)phenyl]amino]phenyl)amino]-N,N-dimethylpropan-1-aminium chloride
-
competitive inhibition
N-(3,5-di-tert-butyl-4-hydroxybenzyl)-2-hydroxyethanaminium chloride
-
containing one Bu group and one N((CH2)2OH) HCl group
N-(3-chlorobenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
-
N-(3-dimethylamino-propyl)-O-[(E)-3-(3-[(E)-3-[N-(3-dimethylamino-propyl)aminooxy]-propenyl]-benzofuran-5-yl)-allyl]-hydroxylamine
-
benzofuranyl-based acyclic bis-polyamine analogue of lunarine with a planar bicyclic benzofuranyl scaffold, inhibition mechanism
N-(4-bromobenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
-
N-(4-chlorobenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
-
N-(4-tert-butylbenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
-
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-butane-1,4-diamine
-
-
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-ethane-1,2-diamine
-
enzyme and growth inhibition
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-hexane-1,6-diamine
-
-
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-propane-1,3-diamine
-
-
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethylaminomethyl)ferrocenylmethyl]-ethane-1,2-diamine
N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanediamine
-
0.1 mM, 10% inhibition in the presence of 0.11 mM or 0.04 mM trypanothione disulfide
N-benzyl-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
-
N-benzyl-4-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-4-oxobutanamide
-
-
N-benzyolxycarbonyl-L-glutamyl(-benzoyl)-L-Leu-Ala
-
glutathione analogue, ASC-I-74B, inhibition of parasite growth and trypanothione reductase activity
N-benzyolxycarbonyl-L-glutamyl(-benzoyl)-L-Leu-Gly
-
glutathione analogue, ASC-I-74A, inhibition of parasite growth and trypanothione reductase activity
N-benzyolxycarbonyl-L-glutamyl(-benzoyl)-L-Val-Ala
-
glutathione analogue, ASC-I-75B, inhibition of parasite growth and trypanothione reductase activity
N-benzyolxycarbonyl-L-glutamyl(-benzoyl)-L-Val-Gly
-
glutathione analogue, ASC-I-75A, inhibition of parasite growth and trypanothione reductase activity
N-[(2E)-1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]acetamide
-
IC50: 0.1 mM
N-[(4-chlorophenyl)(phenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
-
-
N-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylmethanediamine
-
0.1 mM, 10% inhibition in the presence of 0.11 mM or 0.04 mM trypanothione disulfide
N-[2-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-2-oxoethyl]aniline
-
-
N-[2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]-3-(4-methylpiperazin-1-yl)propanamide
-
5% inhibition at 0.1 mM
N-[2-[(4-chlorophenyl)sulfanyl]phenyl]-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetamide
N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-2-(4-methyl-1-piperazinyl)acetamide
N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-2-(4-methyl-1-piperazinyl)ethanimidamide
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
N-[2-[(naphthalen-1-ylacetyl)amino]ethyl]-4-[[(3-nitrophenyl)(oxo)acetyl]amino]piperidine-4-carboxamide
-
0.1 mM
N-[3-(4-amino-butylamino)-propyl]-O-[(E)-3-[3-((E)-3-[N-[3-(4-amino-butylamino)-propyl]aminooxy]-propenyl)-benzofuran-5-yl]-allyl]-hydroxylamine
-
benzofuranyl-based acyclic bis-polyamine analogue of lunarine with a planar bicyclic benzofuranyl scaffold, inhibition mechanism
N-[3-(4-methyl-piperazin-1-yl)-propyl]-O-[(E)-3-[3-((E)-3-[N-[3-(4-methyl-piperazin-1-yl)-propyl]aminooxy]-propenyl)-benzofuran-5-yl]-allyl]-hydroxylamine
-
benzofuranyl-based acyclic bis-polyamine analogue of lunarine with a planar bicyclic benzofuranyl scaffold, inhibition mechanism
N-[3-([2-[(4-chlorophenyl)sulfanyl]phenyl]amino)propyl]-4-(diphenylmethoxy)-N,N-dimethylanilinium
-
-
N-[3-([2-[(4-chlorophenyl)sulfanyl]phenyl]amino)propyl]-N,N-dimethylanilinium
-
-
N-[4-(benzyloxy)benzyl]-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
-
N-[5-chloro-2-(phenylsulfanyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
-
0% inhibition at 0.04 mM
N1,N9-bis-(L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide))-norspermidine
-
non-competitive inhibitor
N1,N9-bis-(L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide))-norspermidine
-
non-competitive inhibitor
N1,N9-bis-(L-tryptophanyl-L-arginyl)-norspermidine
-
non-competitive inhibitor
N1-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-acetyl-norspermidine
-
-
N1-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-hexanoyl-norspermidine
-
-
N1-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-L-arginyl-norspermidine
-
non-competitive inhibitor
N1-L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-acetyl-norspermidine
-
-
N1-L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-hexanoyl-norspermidine
-
-
N1-L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-norspermidine
-
-
N1-L-tryptophanyl-L-arginyl-N9-L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-norspermidine
-
non-competitive inhibitor
N4-allyl benzofuroxan-5-carboxaldehyde thiosemicarbazone
-
9% of inhibition at a inhibitor dose of 0.1 mM, 13% of inhibition at a inhibitor dose of 0.04 mM
NADPH
-
NADPH inhibits the enzyme at higher concentration and during longer incubation times, enzyme can be protected by NADP+
oxidized 3-acetylpyridine adenine nucleotide
-
wild-type and mutant E201D and E201Q
-
quinacrine mustard
-
enzyme and inhibitor first forms a reversible complex, then irreversible inactivation of NADPH-reduced and oxidized enzyme occurs, enzyme contains 2 interacting binding sites in the active site for the inhibitors, 2 inhibitor molecules per enzyme monomer are bound, addition of 2-mercaptoethanol prevents inactivation up to 25 mM, clomipramine strongly protects th enzyme from inactivation
spermidine derivatives
-
derivatives of 2-amino-diphenylsulfide + phenothiazine
-
spermine derivatives
-
derivatives of 2-amino-diphenylsulfide + phenothiazine
-
tert-butyl 4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidine-1'-carboxylate
-
-
tert-butyl-L-Leu-L-Arg-L-Arg-7-amido-4-methylcoumarin
-
reversible and competitive inhibition
tert-butyl-L-Leu-L-Lys-L-Arg-7-amido-4-methylcoumarin
-
reversible and competitive inhibition
trans-[3-(3,4-dibromophenyl)-6-methoxyindan-1-yl]-(3-methylbutyl)amine
-
-
trans-[3-(3,4-dichlorophenyl)-6-methoxyindan-1-yl]-(3-methylbutyl)amine
-
-
Urea
-
1 mM urea has no significant effect on activity whereas 50% enzyme inhibition is observed at 750 mM, enzyme after treatment with urea below 500 mM regains about 95% activity
[6-benzyloxycarbonylamino-1,6-bis-(dimethylcarbamoylmethyl-carbamoyl)-hex-3-enyl]-carbamic acid benzyl ester
-
-
[6-benzyloxycarbonylamino-1,6-bis-(dimethylcarbamoylmethyl-carbamoyl)-hexyl]-carbamic acid benzyl ester
-
-
(3'R,4'R)-3'-carbamoyl-1'-(2-oxo-2-[[2-(phenylsulfanyl)phenyl]amino]ethyl)-1,4'-bipiperidinium
-
ZINC01063940
(3'R,4'R)-3'-carbamoyl-1'-(2-oxo-2-[[2-(phenylsulfanyl)phenyl]amino]ethyl)-1,4'-bipiperidinium
-
ZINC01063940
1,3-bis[3-(dimethylamino)propyl]-1,5-dihydro-2H-pyrimido[4,5-beta][1,4]benzothiazine-2,4(3H)-dione
-
11% growth inhibition, no inhibition of glutathione reductase
1,3-bis[3-(dimethylamino)propyl]-1,5-dihydro-2H-pyrimido[4,5-beta][1,4]benzothiazine-2,4(3H)-dione
-
no inhibition of glutathione reductase
1-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-4-methylpiperazine
-
-
1-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-4-methylpiperazine
-
-
1-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-4-methylpiperazine
-
-
1-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-4-methylpiperazine
-
36% inhibition at 0.1 mM
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-4-yl)methyl)piperazine
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
-
86% inhibition at 0.04 mM
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
-
52% inhibition at 0.04 mM
1-(2-oxo-2-[[2-(phenylsulfanyl)phenyl]amino]ethyl)-4-phenylpiperazin-1-ium
-
ZINC05829158
1-(2-oxo-2-[[2-(phenylsulfanyl)phenyl]amino]ethyl)-4-phenylpiperazin-1-ium
-
ZINC05829158
1-(3,4-dichlorobenzyl)-4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methylpiperazin-1-ium formate
-
-
1-(3,4-dichlorobenzyl)-4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methylpiperazin-1-ium formate
-
-
1-(3,4-dichlorobenzyl)-4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methylpiperazin-1-ium formate
-
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
-
-
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
-
-
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
-
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
-
-
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
-
-
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
-
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
-
IC50: 0.004 mM
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
-
-
1-(3,4-dichlorophenyl)-2-[3-[2-(dimethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
-
IC50: 0.01 mM, 92% inhibition at 0.025 mM
1-(3,4-dichlorophenyl)-2-[3-[2-(dimethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
-
-
1-(3-bromobenzyl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane
-
ZINC00346140
1-(3-bromobenzyl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane
-
ZINC00346140
1-(4-methylphenyl)-5-oxo-N-[2-(phenylsulfanyl)phenyl]pyrrolidine-3-carboxamide
-
ZINC1064012
1-(4-methylphenyl)-5-oxo-N-[2-(phenylsulfanyl)phenyl]pyrrolidine-3-carboxamide
-
ZINC1064012
1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-ethylpiperazinediium
-
ZINC00702046
1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-ethylpiperazinediium
-
ZINC00702046
1-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-4-methylpiperazine
-
-
1-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-4-methylpiperazine
-
-
1-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-4-methylpiperazine
-
-
1-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-4-methylpiperazine
-
16% inhibition at 0.1 mM
1-benzyl-4-[[(1E)-(1-cyclohexyl-2,4,6-trioxohexahydropyrimidin-5-yl)methylidene]amino]-1-methylpiperidinium
-
ZINC05119716
1-benzyl-4-[[(1E)-(1-cyclohexyl-2,4,6-trioxohexahydropyrimidin-5-yl)methylidene]amino]-1-methylpiperidinium
-
ZINC05119716
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
-
-
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
-
-
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
-
-
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
-
28% inhibition at 0.1 mM
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
-
-
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
-
-
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
-
-
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
-
28% inhibition at 0.1 mM
1-[2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl]azepanium
-
ZINC04866531
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethyl-aminomethyl)-ferrocenylmethyl]-3-p-chloro-phenyl-urea
-
ferrocenic 4-aminoquinoline urea compound 9, growth inhibition
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethyl-aminomethyl)-ferrocenylmethyl]-3-p-chloro-phenyl-urea
-
ferrocenic 4-aminoquinoline urea compound 9, growth inhibition
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethyl-aminomethyl)-ferrocenylmethyl]-3-p-chloro-phenyl-urea
-
ferrocenic 4-aminoquinoline urea compound 9, enzyme and growth inhibition
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-p-methoxyphenyl-urea
-
ferrocenic 4-aminoquinoline urea compound 6, growth inhibition
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-p-methoxyphenyl-urea
-
ferrocenic 4-aminoquinoline urea compound 6, growth inhibition
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-p-methoxyphenyl-urea
-
ferrocenic 4-aminoquinoline urea compound 6, enzyme and growth inhibition
1-[2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
-
-
1-[2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
-
-
1-[2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
-
-
1-[2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
-
25% inhibition at 0.1 mM
12-chloro-1,1-dimethyl-1,2,3,4,4a,13b-hexahydrodibenzo[2,3:6,7]thiepino[4,5-b]pyridin-1-ium
-
ZINC00347698
12-chloro-1,1-dimethyl-1,2,3,4,4a,13b-hexahydrodibenzo[2,3:6,7]thiepino[4,5-b]pyridin-1-ium
-
ZINC00347698
2-(2,4-dioxo-1,3-diazaspiro[4.6]undec-3-yl)-N-[2-(phenylsulfanyl)phenyl]acetamide
-
ZINC03307332
2-(2,4-dioxo-1,3-diazaspiro[4.6]undec-3-yl)-N-[2-(phenylsulfanyl)phenyl]acetamide
-
ZINC03307332
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-[2-(phenylsulfanyl)phenyl]acetamide
-
ZINC2628155
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-[2-(phenylsulfanyl)phenyl]acetamide
-
ZINC2628155
2-(dimethylamino)-N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]acetamide
-
-
2-(dimethylamino)-N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]acetamide
-
-
2-(dimethylamino)-N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]acetamide
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
-
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
-
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
-
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
-
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
-
2-[(4-bromophenyl)sulfanyl]-5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]aniline
-
39% inhibition at 0.1 mM
2-[(4-bromophenyl)sulfanyl]-5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]aniline
-
-
2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-5-(phenylamino)-2,5-dihydro-1,3,4-thiadiazol-3-ium chloride
-
non-competitive inhibition, 76% inhibition at 0.001 mM
2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-5-(phenylamino)-2,5-dihydro-1,3,4-thiadiazol-3-ium chloride
-
non-competitive inhibition, 69.5% inhibition at 0.001 mM
2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-5-(phenylamino)-2,5-dihydro-1,3,4-thiadiazol-3-ium chloride
-
non-competitive inhibition, 70% inhibition at 0.001 mM
2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-5-(phenylamino)-2,5-dihydro-1,3,4-thiadiazol-3-ium chloride
-
non-competitive inhibition, 83% inhibition at 0.001 mM
2-[3-(2-chloro-10H-phenothiazin-10-yl)-3-oxopropyl]octahydro-2H-pyrido[1,2-a]pyrazinediium
-
ZINC04427277
2-[3-(2-chloro-10H-phenothiazin-10-yl)-3-oxopropyl]octahydro-2H-pyrido[1,2-a]pyrazinediium
-
ZINC04427277
2-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
-
2-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
-
2-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
-
2-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
58% inhibition at 0.1 mM
2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
-
2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
-
2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
-
2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
42% inhibition at 0.1 mM
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-(pentafluorobenzyl)-2-oxoethanaminium formate
-
-
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-(pentafluorobenzyl)-2-oxoethanaminium formate
-
-
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-(pentafluorobenzyl)-2-oxoethanaminium formate
-
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-[(5-nitro-2-furyl)methyl]-2-oxoethanaminium formate
-
-
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-[(5-nitro-2-furyl)methyl]-2-oxoethanaminium formate
-
-
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-[(5-nitro-2-furyl)methyl]-2-oxoethanaminium formate
-
3-(11H-dibenzo[b,e][1,4]dithiepin-11-yl)-N,N-dimethylpropan-1-aminium
-
ZINC00347760
3-(11H-dibenzo[b,e][1,4]dithiepin-11-yl)-N,N-dimethylpropan-1-aminium
-
ZINC00347760
3-(11H-dibenzo[b,e][1,4]oxathiepin-11-ylmethyl)-1-methylpiperidinium
-
ZINC04128838
3-(11H-dibenzo[b,e][1,4]oxathiepin-11-ylmethyl)-1-methylpiperidinium
-
ZINC04128838
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
cationic diaryl sulphide-based inhibitor, 99% growth inhibition
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
-
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
cationic diaryl sulphide-based inhibitor
3-([5-chloro-2-[(4'-methylbiphenyl-4-yl)thio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
-
-
3-([5-chloro-2-[(4'-methylbiphenyl-4-yl)thio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
-
-
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
cationic diaryl sulphide-based inhibitor, 99% growth inhibition
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
-
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
cationic diaryl sulphide-based inhibitor
3-([5-chloro-2-[1-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride
-
-
3-([5-chloro-2-[1-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride
-
-
3-([5-chloro-2-[2-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride
-
-
3-([5-chloro-2-[2-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride
-
-
3-benzyl-1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
-
growth inhibition
3-benzyl-1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
-
growth inhibition
3-benzyl-1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
-
enzyme and growth inhibition
3-Chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz(b,f)azepine
-
-
3-Chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz(b,f)azepine
-
IC50: 0.0065 mM
3-[(5-chloro-2-[[2-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
-
-
3-[(5-chloro-2-[[2-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
-
-
3-[(5-chloro-2-[[3-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
-
-
3-[(5-chloro-2-[[3-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
-
-
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
cationic diaryl sulphide-based inhibitor, 99% growth inhibition
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
-
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
cationic diaryl sulphide-based inhibitor, 38% growth inhibition
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
cationic diaryl sulphide-based inhibitor, 99% growth inhibition
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
-
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
cationic diaryl sulphide-based inhibitor, 0% growth inhibition
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
-
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
-
about 60% inhibition at 0.04 mM
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
-
-
4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methyl-1-(pentafluorobenzyl)piperazin-1-ium formate
-
-
4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methyl-1-(pentafluorobenzyl)piperazin-1-ium formate
-
-
4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methyl-1-(pentafluorobenzyl)piperazin-1-ium formate
-
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
-
-
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
-
-
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
-
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
-
-
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
-
-
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
-
4-[6-[(3-chlorophenyl)carbamoyl]-4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-1-methylpiperazin-1-ium
-
ZINC02240886
4-[6-[(3-chlorophenyl)carbamoyl]-4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-1-methylpiperazin-1-ium
-
ZINC02240886
5-chloro-2-[(4-chlorophenyl)sulfanyl]-N-[3-(4-methylpiperazin-1-yl)propyl]aniline
-
-
5-chloro-2-[(4-chlorophenyl)sulfanyl]-N-[3-(4-methylpiperazin-1-yl)propyl]aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(phenylsulfanyl)aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(phenylsulfanyl)aniline
-
33% inhibition at 0.1 mM
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(phenylsulfanyl)aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(phenylsulfanyl)aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-1-ylphenyl)sulfanyl]aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-1-ylphenyl)sulfanyl]aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-2-ylphenyl)sulfanyl]aniline
-
less than 5% inhibition at 0.04 mM
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-2-ylphenyl)sulfanyl]aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[2-(trifluoromethyl)phenyl]sulfanyl]aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[2-(trifluoromethyl)phenyl]sulfanyl]aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfanyl]aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfanyl]aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[4-(trifluoromethyl)phenyl]sulfanyl]aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[4-(trifluoromethyl)phenyl]sulfanyl]aniline
-
-
7-methoxy-N-[2-([[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl)-3-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl]-4a,9a-dihydroacridin-2-amine
-
-
7-methoxy-N-[2-([[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl)-3-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl]-4a,9a-dihydroacridin-2-amine
-
-
7-methoxy-N-[2-([[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl)-3-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl]-4a,9a-dihydroacridin-2-amine
31% inhibition at 0.02 mM
ajoene
-
i.e. (E,Z)-4,5,9-trithiadodeca-1,6,11-triene-9-oxide, natural compound from garlic, Allium sativum, covalent inhibition, but also substrate; time- and temperature-dependent inhibition
aspidospermine
-
11% growth inhibition, no inhibition of glutathione reductase
chinifur
-
inhibits trypanothione reductase and acts as subversive substrate
iodoacetamide
-
inhibition only of the enzyme with reduced cysteine residues in the catalytic center by alkylation
iodoacetamide
-
inhibition only of the enzyme with reduced cysteine residues in the catalytic center by alkylation
lunarine
-
Lunaria derived alkaloid with a unusual 3-oxohexahydrodibenzofuranyl tricyclic scaffold, competitive, reversible formation of a covalent adduct between Cys53 and one of the alpha,beta-unsaturated amide groups of lunarine, mechanism, enzyme needs to be in reduced state
Melarsen oxide
-
inhibition is increased in presence of NADPH, inhibition is abolished by melarsen-trypanothione disulfide adduct
melarsen-trypanothione disulfide adduct
-
i.e. adduct of p-(4,6-diamino-S-triazinyl-2-yl)aminophenyl arsenoxide with N1,N8-bis-(glutathionyl)spermidine
melarsen-trypanothione disulfide adduct
-
i.e. adduct of p-(4,6-diamino-S-triazinyl-2-yl)aminophenyl arsenoxide with N1,N8-bis-(glutathionyl)spermidine
melarsen-trypanothione disulfide adduct
-
i.e. adduct of p-(4,6-diamino-S-triazinyl-2-yl)aminophenyl arsenoxide with N1,N8-bis-(glutathionyl)spermidine
N'-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N,N-dimethylethane-1,2-diamine
-
-
N'-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N,N-dimethylethane-1,2-diamine
-
-
N'-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N,N-dimethylethane-1,2-diamine
19% inhibition at 0.02 mM
N'-(5-chloro-2-[[2-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine
-
-
N'-(5-chloro-2-[[2-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine
-
-
N'-(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine
-
-
N'-(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine
-
-
N'-[2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]-N,N-dimethylpropane-1,3-diamine
-
-
N'-[2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]-N,N-dimethylpropane-1,3-diamine
-
-
N'-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-N,N-dimethyl-1,2-ethanediamine
-
-
N'-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-N,N-dimethyl-1,2-ethanediamine
-
-
N'-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-N,N-dimethyl-1,2-ethanediamine
-
N'-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N,N-dimethylethane-1,2-diamine
-
-
N'-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N,N-dimethylethane-1,2-diamine
-
-
N'-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N,N-dimethylethane-1,2-diamine
28% inhibition at 0.02 mM
N'-[5-chloro-2-(naphthalen-1-ylsulfanyl)phenyl]-N,N-dimethylpropane-1,3-diamine
-
-
N'-[5-chloro-2-(naphthalen-1-ylsulfanyl)phenyl]-N,N-dimethylpropane-1,3-diamine
-
-
N'-[5-chloro-2-(naphthalen-2-ylsulfanyl)phenyl]-N,N-dimethylpropane-1,3-diamine
-
-
N'-[5-chloro-2-(naphthalen-2-ylsulfanyl)phenyl]-N,N-dimethylpropane-1,3-diamine
-
-
N'-[5-chloro-2-(phenylsulfanyl)phenyl]-N,N-dimethylpropane-1,3-diamine
-
-
N'-[5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]-N,N-dimethylpropane-1,3-diamine
-
-
N'-[5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]-N,N-dimethylpropane-1,3-diamine
-
-
N,N-dimethyl-N-[3-(7-methoxy-1-methyl-3,4-dihydro-9H-beta-carbolin-9-yl)propyl]amine
-
57% growth inhibition, no inhibition of glutathione reductase, twenty-three heterocyclic compounds are evaluated for their potential as trypanothione reductase inhibitors
N,N-dimethyl-N-[3-(7-methoxy-1-methyl-3,4-dihydro-9H-beta-carbolin-9-yl)propyl]amine
-
no inhibition of glutathione reductase, twenty-three heterocyclic compounds are evaluated for their potential as trypanothione reductase inhibitors
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-2-(4-methylpiperazin-1-yl)acetamide
-
-
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-2-(4-methylpiperazin-1-yl)acetamide
-
-
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-2-(4-methylpiperazin-1-yl)acetamide
20% inhibition at 0.02 mM
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N2,N2-dimethylglycinamide
-
-
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N2,N2-dimethylglycinamide
-
-
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N2,N2-dimethylglycinamide
23% inhibition at 0.02 mM
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
-
-
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
-
-
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
-
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
-
-
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
-
-
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
-
N-(3,4-dichlorobenzyl)-2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-2-oxoethanaminium
-
-
N-(3,4-dichlorobenzyl)-2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-2-oxoethanaminium
-
-
N-(3,4-dichlorobenzyl)-2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-2-oxoethanaminium
-
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethylaminomethyl)ferrocenylmethyl]-ethane-1,2-diamine
-
growth inhibition
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethylaminomethyl)ferrocenylmethyl]-ethane-1,2-diamine
-
growth inhibition
N-([2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-N-ethylethanamine
-
-
N-([2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-N-ethylethanamine
-
-
N-([2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-N-ethylethanamine
-
-
N-([2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-N-ethylethanamine
-
46% inhibition at 0.1 mM
N-methyl-N-(2-oxo-2-(2-(phenylthio)phenylamino)ethyl)cyclohexanaminium
-
-
N-[2-(phenylsulfanyl)phenyl]-2-[(phenylsulfonyl)amino]propanamide
-
ZINC00667609
N-[2-(phenylsulfanyl)phenyl]-2-[(phenylsulfonyl)amino]propanamide
-
ZINC00667609
N-[2-[(4-chlorophenyl)sulfanyl]phenyl]-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetamide
-
ZINC02647011
N-[2-[(4-chlorophenyl)sulfanyl]phenyl]-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetamide
-
ZINC02647011
N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-2-(4-methyl-1-piperazinyl)acetamide
-
-
N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-2-(4-methyl-1-piperazinyl)acetamide
-
-
N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-2-(4-methyl-1-piperazinyl)acetamide
-
N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-2-(4-methyl-1-piperazinyl)ethanimidamide
-
-
N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-2-(4-methyl-1-piperazinyl)ethanimidamide
-
-
N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-2-(4-methyl-1-piperazinyl)ethanimidamide
-
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
-
-
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
-
-
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
19% inhibition at 0.02 mM
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
-
-
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
-
-
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
15% inhibition at 0.02 mM
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
-
-
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
-
-
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
16% inhibition at 0.02 mM
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
-
-
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
-
-
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
12% inhibition at 0.02 mM
N-[5-chloro-2-(phenylthio)phenyl]-3-(4-methylpiperazine-1-yl)-propanamidine
-
-
N-[5-chloro-2-(phenylthio)phenyl]-3-(4-methylpiperazine-1-yl)-propanamidine
-
-
N4-(6-chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine
-
-
N4-(6-chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine
-
-
N4-(6-chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine
-
additional information
-
not inhibited by Ac-KMGISSMVQPKII-NH2 and Ac-KIIPKVQGMSIMS-NH2
-
additional information
Lunaria biennis
-
no inhibition by 0.1 mM cis-3-(1,3-dioxolan-2-yl)-8,9b-bis-(trans-ethyl-acrylyl)-1,2,3,4,4a,9b-hexahydrodibenzofuran
-
additional information
-
increasing ionic strength leads to inhibition, e.g. with NaCl, KCl, (NH4)SO4, HEPES
-
additional information
-
antiparasitic drugs designed using three-dimensional structure
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
ACTIVATING COMPOUND
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
additional information
-
activity is dependent on a redox-active cysteine at the active centre
-
additional information
-
activity is dependent on a redox-active cysteine at the active centre
-
additional information
-
activity is dependent on a redox-active cysteine at the active centre; activity is highly dependent on ionic strength, optimum activity at 40 mM NaCl
-
additional information
-
activity is dependent on a redox-active cysteine at the active centre
-
additional information
-
activity is dependent on a redox-active cysteine at the active centre
-
additional information
-
activity is dependent on a redox-active cysteine at the active centre
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
KM VALUE [mM]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.448
4-aminobutyryl-L-cysteinylglycyl-3-methylaminopropylamide disulfide
-
-
0.3
5,5'-dithiobis(N-[3-(4-methylpiperazin-1-yl)propyl]-2-nitrobenzamide)
-
recombinant enzyme
0.035
5,5'-dithiobis(N-[3-(dimethylamino)propyl]-2-nitrobenzamide)
-
recombinant enzyme
0.052
benzyloxycarbonyl-L-cysteinylglycyl-3-methylaminopropylamide disulfide
-
-
-
0.693
L-beta-aspartyl-L-cysteinylglycyl-3-methylaminopropylamide disulfide
-
-
0.225
L-gamma-glutamyl-L-cysteinylglycyl-3-methylaminopropylamide disulfide
-
-
0.251
tert-butyloxycarbonyl-L-cysteinylglycyl-3-methylaminopropylamide disulfide
-
-
0.022 - 0.275
glutathionylspermidine disulfide
-
dependent on buffer system
0.0015
trypanothione disulfide
-
apparent value, in the presence of 0.05 mM DTNB and 0.15 mM NADPH, in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) BSA, and 0.05% (v/v) Tween 20, pH 7.5, at 22°C
0.0206
trypanothione disulfide
-
wild type enzyme, pH and temperature not specified in the publication
0.023
trypanothione disulfide
-
in the absence of 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine, at 20°C, pH not specified in the publication
0.0253
trypanothione disulfide
-
mutant enzyme Q439A, pH and temperature not specified in the publication
0.0493
trypanothione disulfide
-
mutant enzyme W81A, pH and temperature not specified in the publication
0.053
trypanothione disulfide
-
in the presence of 0.01 mM 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine, at 20°C, pH not specified in the publication
0.075
trypanothione disulfide
-
in the presence of 0.03 mM 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine, at 20°C, pH not specified in the publication
0.1922
trypanothione disulfide
-
mutant enzyme E436A, pH and temperature not specified in the publication
0.5
trypanothione disulfide
-
recombinant glutathione-trypanothione reductase-like enzyme
additional information
additional information
-
Km of several trypanothione disulfide derivatives, e.g. N1-monoglutathionylspermidine, mixed disulfide of N1-monoglutathionylspermidine and glutathione
-
additional information
additional information
-
Km dependent on assay conditions
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
TURNOVER NUMBER [1/s]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
21.8
4-aminobutyryl-L-cysteinylglycyl-3-methylaminopropylamide disulfide
Crithidia fasciculata
-
-
125
5,5'-dithiobis(N-[3-(4-methylpiperazin-1-yl)propyl]-2-nitrobenzamide)
Trypanosoma cruzi
-
recombinant enzyme
125
5,5'-dithiobis(N-[3-(dimethylamino)propyl]-2-nitrobenzamide)
Trypanosoma cruzi
-
recombinant enzyme
109
benzyloxycarbonyl-L-cysteinylglycyl-3-methylaminopropylamide disulfide
Crithidia fasciculata
-
-
-
61.3
L-beta-aspartyl-L-cysteinylglycyl-3-methylaminopropylamide disulfide
Crithidia fasciculata
-
-
818
L-gamma-glutamyl-L-cysteinylglycyl-3-methylaminopropylamide disulfide
Crithidia fasciculata
-
-
101
tert-butyloxycarbonyl-L-cysteinylglycyl-3-methylaminopropylamide disulfide
Crithidia fasciculata
-
-
0.8
trypanothione disulfide
Leishmania infantum
-
mutant enzyme E436A, pH and temperature not specified in the publication
11.4
trypanothione disulfide
Leishmania infantum
-
in the absence of 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine, at 20°C, pH not specified in the publication
16.6
trypanothione disulfide
Leishmania infantum
-
mutant enzyme W81A, pH and temperature not specified in the publication
18
trypanothione disulfide
Leishmania infantum
-
in the presence of 0.01 mM 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine, at 20°C, pH not specified in the publication
19
trypanothione disulfide
Leishmania infantum
-
in the presence of 0.03 mM 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine, at 20°C, pH not specified in the publication
20.8
trypanothione disulfide
Homo sapiens
-
recombinant glutathione-trypanothione reductase-like enzyme
30.2
trypanothione disulfide
Leishmania infantum
-
wild type enzyme, pH and temperature not specified in the publication
40.8
trypanothione disulfide
Leishmania infantum
-
mutant enzyme Q439A, pH and temperature not specified in the publication
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
kcat/KM VALUE [1/mMs-1]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
4
trypanothione disulfide
Leishmania infantum
-
mutant enzyme E436A, pH and temperature not specified in the publication
1390
250
trypanothione disulfide
Leishmania infantum
-
in the presence of 0.03 mM 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine, at 20°C, pH not specified in the publication
1390
300
trypanothione disulfide
Leishmania infantum
-
mutant enzyme W81A, pH and temperature not specified in the publication
1390
340
trypanothione disulfide
Leishmania infantum
-
in the presence of 0.01 mM 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine, at 20°C, pH not specified in the publication
1390
470
trypanothione disulfide
Leishmania infantum
-
in the absence of 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine, at 20°C, pH not specified in the publication
1390
1500
trypanothione disulfide
Leishmania infantum
-
wild type enzyme, pH and temperature not specified in the publication
1390
1600
trypanothione disulfide
Leishmania infantum
-
mutant enzyme Q439A, pH and temperature not specified in the publication
1390
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Ki VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.00005
(1,3,5-triaza-7-phosphaadamantane)Au(saccharine)
-
at pH 7.5 and 25°C
-
0.03
(6-benzyloxycarbonylamino-6-[[[methyl-(2-propylamino-ethyl)-carbamoyl]-methyl]-carbamoyl]-1-[[(3-propylamino-propylcarbamoyl)-methyl]-carbamoyl]-hex-3-enyl)-carbamic acid benzyl ester
-
-
0.048
(6-benzyloxycarbonylamino-6-[[[methyl-(2-propylamino-ethyl)-carbamoyl]-methyl]-carbamoyl]-1-[[(3-propylamino-propylcarbamoyl)-methyl]-carbamoyl]-hexyl)-carbamic acid benzyl ester
-
-
0.0019
1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(3-benzyl-1,3-dihydro-2H-benzimidazol-2-imine)
-
-
0.0269
1,3-bis[3-(dimethylamino)propyl]-1,5-dihydro-2H-pyrimido[4,5-beta][1,4]benzothiazine-2,4(3H)-dione
-
-
0.0011
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
-
at 25°C, pH not specified in the publication
0.002
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
-
at 25°C, pH not specified in the publication
0.005
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
-
at 25°C, pH not specified in the publication
0.0036
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
-
-
0.0054
1-(3,4-dichlorophenyl)-2-[3-[2-(dimethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
-
-
0.216
1-(4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-2-amine
-
-
0.023
10-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethyl)-10,10a-dihydro-4aH-phenothiazine
-
-
0.0212
2-(1-[3-[2-(trifluoromethyl)-4a,10a-dihydro-10H-phenothiazin-10-yl]propyl]piperidin-4-yl)ethanol
-
-
0.011
2-(4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl)naphthalene-1,4-dione
-
-
0.15
2-amino-4-chlorophenyl phenyl sulfide
-
at pH 7.25, 25°C in 0.02 M HEPES buffer containing 0.15 M KCl, 1 mM EDTA, 0.1 mM NADPH
0.0187
2-chloro-10-[3-[(Z)-propyldiazenyl]propyl]-10,10a-dihydro-4aH-phenothiazine
-
-
0.032
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-5-methoxycyclohexa-2,5-diene-1,4-dione
-
-
0.0075
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]naphthalene-1,4-dione
-
-
0.0017
3',4'-dichlorobenzyl-[5-chloro-2-(phenylsulfanylphenylamino)-propyl]-dimethylammonium chloride
-
at pH 7.25, 25°C in 0.02 M HEPES buffer containing 0.15 M KCl, 1 mM EDTA, 0.1 mM NADPH
0.00044
3,4-dichloro-N-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-N,N-dimethylanilinium
-
0.0008 mM, at pH 7.25, 25°C in 0.02 M HEPES buffer containing 0.15 M KCl, 1 mM EDTA, 0.1 mM NADPH
0.00169
3,4-dichloro-N-[3-([2-[(4-chlorophenyl)sulfanyl]phenyl]amino)propyl]-N,N-dimethylanilinium
-
at pH 7.25, 25°C in 0.02 M HEPES buffer containing 0.15 M KCl, 1 mM EDTA, 0.1 mM NADPH
0.0108
3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
-
0.127
3-(4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
-
-
0.007
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
0.008
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
0.084 - 0.158
3-([2-[(4-tert-butylphenyl)amino]-5-fluorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
0.007
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
0.01
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
0.0065
3-Chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz(b,f)azepine
-
at pH 7.25, 25°C in 0.02 M HEPES buffer containing 0.15 M KCl, 1 mM EDTA, 0.1 mM NADPH
0.02
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
0.006
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
0.009
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
0.009
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
-
0.002
4,4'-bis(4-benzyloxy-3-methoxybenzimidoylamino)di-cyclohexylmethane
-
-
0.0046
4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine
-
at 20°C, pH not specified in the publication
0.0066
4-(benzyloxy)-N-[3-([2-[(4-chlorophenyl)sulfanyl]phenyl]amino)propyl]-N,N-dimethylanilinium
-
at pH 7.25, 25°C in 0.02 M HEPES buffer containing 0.15 M KCl, 1 mM EDTA, 0.1 mM NADPH
0.027
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(phenylsulfanyl)aniline
-
at pH 7.25, 25°C in 0.02 M HEPES buffer containing 0.15 M KCl, 1 mM EDTA, 0.1 mM NADPH
0.025
Au-(N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide)Cl
-
at pH 7.5 and 25°C
-
0.016
bis(9H-fluoren-9-ylmethyl) [(18S,23S)-3,14,17,24-tetraoxo-1,4,8,13,16-pentaazacyclotetracosane-18,23-diyl]biscarbamate
-
-
0.0108
chlorpromazine
-
at pH 7.25, 25°C in 0.02 M HEPES buffer containing 0.15 M KCl, 1 mM EDTA, 0.1 mM NADPH
0.101
cis-3-(1,3-dioxolan-2-yl)-8-bromo-9b-(trans-acrylic acid)-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
-
0.059
cis-3-oxo-8,9b-bis-(trans-N1-(acrylamidospermidyl))-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
-
0.093
cis-3-oxo-8,9b-bis-(trans-N3-(dimethylamino)propylacrylamido)-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
-
0.049
cis-3-oxo-8-trans-(N1-acrylamidospermidyl)-9b-trans-ethylacrylyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
-
0.145
dibenzyl [(18S,23S)-3,14,17,24-tetraoxo-1,4,8,13,16-pentaazacyclotetracosane-18,23-diyl]biscarbamate
-
-
0.066
N'-[5-chloro-2-(phenylsulfanyl)phenyl]-N,N-dimethylpropane-1,3-diamine
-
at pH 7.25, 25°C in 0.02 M HEPES buffer containing 0.15 M KCl, 1 mM EDTA, 0.1 mM NADPH
0.0302
N,N-dimethyl-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-aminium
-
-
0.035
N,N-dimethyl-N-[3-(7-methoxy-1-methyl-3,4-dihydro-9H-beta-carbolin-9-yl)propyl]amine
-
-
0.028 - 0.72
N-(3,4-dichlorobenzyl)-3-[(5-fluoro-2-[[4-(pentafluoro-l6-sulfanyl)phenyl]amino]phenyl)amino]-N,N-dimethylpropan-1-aminium chloride
0.0246
N-[2-[(4-chlorophenyl)sulfanyl]phenyl]-2-phenylacetamide
-
at pH 7.25, 25°C in 0.02 M HEPES buffer containing 0.15 M KCl, 1 mM EDTA, 0.1 mM NADPH
0.0428
N-[2-[(4-chlorophenyl)sulfanyl]phenyl]-4-nitrobenzamide
-
at pH 7.25, 25°C in 0.02 M HEPES buffer containing 0.15 M KCl, 1 mM EDTA, 0.1 mM NADPH
0.0245
N-[2-[(4-chlorophenyl)sulfanyl]phenyl]benzamide
-
at pH 7.25, 25°C in 0.02 M HEPES buffer containing 0.15 M KCl, 1 mM EDTA, 0.1 mM NADPH
0.0113
N-[2-[(4-chlorophenyl)sulfanyl]phenyl]butanamide
-
at pH 7.25, 25°C in 0.02 M HEPES buffer containing 0.15 M KCl, 1 mM EDTA, 0.1 mM NADPH
0.02
N-[2-[(4-chlorophenyl)sulfanyl]phenyl]propanamide
-
at pH 7.25, 25°C in 0.02 M HEPES buffer containing 0.15 M KCl, 1 mM EDTA, 0.1 mM NADPH
0.009
N-[2-[(naphthalen-1-ylacetyl)amino]ethyl]-4-[[(3-nitrophenyl)(oxo)acetyl]amino]piperidine-4-carboxamide
-
mixed type inhibitor, 0.1 mM
0.0053
N-[3-([2-[(4-chlorophenyl)sulfanyl]phenyl]amino)propyl]-4-(diphenylmethoxy)-N,N-dimethylanilinium
-
at pH 7.25, 25°C in 0.02 M HEPES buffer containing 0.15 M KCl, 1 mM EDTA, 0.1 mM NADPH
0.0142
N-[3-([2-[(4-chlorophenyl)sulfanyl]phenyl]amino)propyl]-N,N-dimethylanilinium
-
at pH 7.25, 25°C in 0.02 M HEPES buffer containing 0.15 M KCl, 1 mM EDTA, 0.1 mM NADPH
0.003
N1,N9-bis-(L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide))-norspermidine
-
-
0.00016
N1,N9-bis-(L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide))-norspermidine
-
-
0.069
N1-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-acetyl-norspermidine
-
-
0.007
N1-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-hexanoyl-norspermidine
-
-
0.011
N1-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-L-arginyl-norspermidine
-
-
0.131
N1-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-norspermidine
-
-
0.012
N1-L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-acetyl-norspermidine
-
-
0.006
N1-L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-hexanoyl-norspermidine
-
-
0.009
N1-L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-norspermidine
-
-
0.00022
N1-L-tryptophanyl-L-arginyl-N9-L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-norspermidine
-
-
0.0219
trifluoroperazine
-
pH and temperature not specified in the publication
0.023
Trifluperazine
-
at pH 7.25, 25°C in 0.02 M HEPES buffer containing 0.15 M KCl, 1 mM EDTA, 0.1 mM NADPH
0.074
[6-benzyloxycarbonylamino-1,6-bis-(dimethylcarbamoylmethyl-carbamoyl)-hex-3-enyl]-carbamic acid benzyl ester
-
-
0.091
[6-benzyloxycarbonylamino-1,6-bis-(dimethylcarbamoylmethyl-carbamoyl)-hexyl]-carbamic acid benzyl ester
-
-
0.000185
[Au((S)-4-Bn-2-(pyridin-2-yl)-4,5-dihydro-oxazole)Cl2][PF6]
-
at pH 7.5 and 25°C
-
0.000075
[Au((S)-4-iPr-2-(pyridin-2-yl)-4,5-dihydro-oxazole)Cl2][PF6]
-
at pH 7.5 and 25°C
-
0.000022
[Cl2AuIII(2-(2'-pyridyl)benzimidazole)AuI(PPh3)](PF6)
-
at pH 7.5 and 25°C
-
0.008
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
-
0.008
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
competitive inhibition, at 25°C
0.084
3-([2-[(4-tert-butylphenyl)amino]-5-fluorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
competitive inhibition, at 25°C
0.158
3-([2-[(4-tert-butylphenyl)amino]-5-fluorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
uncompetitive inhibition, at 25°C
0.01
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
-
0.01
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
competitive inhibition, at 25°C
0.006
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
-
0.006
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
competitive inhibition, at 25°C
0.0936
amitryptyline
-
at pH 7.25, 25°C in 0.02 M HEPES buffer containing 0.15 M KCl, 1 mM EDTA, 0.1 mM NADPH
0.0936
amitryptyline
-
pH and temperature not specified in the publication
0.00656
clomipramine
-
pH and temperature not specified in the publication
0.0086
clomipramine
-
recombinant enzyme, with 5,5'-dithiobis(N-[3-(dimethylamino)propyl]-2-nitrobenzamide)
0.028
N-(3,4-dichlorobenzyl)-3-[(5-fluoro-2-[[4-(pentafluoro-l6-sulfanyl)phenyl]amino]phenyl)amino]-N,N-dimethylpropan-1-aminium chloride
-
competitive inhibition, at 25°C
0.72
N-(3,4-dichlorobenzyl)-3-[(5-fluoro-2-[[4-(pentafluoro-l6-sulfanyl)phenyl]amino]phenyl)amino]-N,N-dimethylpropan-1-aminium chloride
-
uncompetitive inhibition, at 25°C
additional information
additional information
-
derivatives of 2-amino-diphenylsulfide + phenothiazine
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
IC50 VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.0085
(1,3,5-triaza-7-phosphaadamantane)Au(saccharine)
Leishmania infantum
-
at pH 7.5 and 25°C
-
0.0829
(2-chloroethoxy)diphenylmethane
Trypanosoma brucei
-
in 40 mM HEPES pH 7.4, 1 mM EDTA, at 25°C
0.0021
(2E)-3-(5-nitrofuran-2-yl)-N-tricyclo[3.3.1.13,7]dec-1-ylprop-2-enamide
Trypanosoma cruzi
-
-
0.023
(2Z)-2-[(2E)-2-(3H-indol-3-ylidene)ethylidene]-1-methyl-1,2-dihydroquinoline
Trypanosoma cruzi
-
in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.1
(3'R,4'R)-3'-carbamoyl-1'-(2-oxo-2-[[2-(phenylsulfanyl)phenyl]amino]ethyl)-1,4'-bipiperidinium
0.013
(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidinyl-1'-yl)(phenyl)-methanone
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.0013
1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(3-benzyl-1,3-dihydro-2H-benzimidazol-2-imine)
Trypanosoma brucei rhodesiense
-
-
0.1
1,1'-[methanediylbis(oxyethane-2,1-diyl)]bis(3-methyl-1,3-dihydro-2H-benzimidazol-2-imine)
Trypanosoma brucei
-
IC50: 0.1 mM
0.004
1,1'-[methanediylbis(oxyethane-2,1-diyl)]bis(3-phenyl-1,3-dihydro-2H-benzimidazol-2-imine)
Trypanosoma brucei
-
IC50: 0.004 mM
0.0086
1,6-dimethyl-3-(4-methylphenyl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.0044
1-((1-benzo[b]furan-2-yl)cyclohexyl)piperidine
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.1
1-((1-benzo[b]thiazol-2-yl)cyclohexyl)piperidine
Trypanosoma brucei
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.01
1-((1-benzo[b]thiophen-2-yl)cyclohexyl)-4-methylpiperazine
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.005
1-((1-benzo[b]thiophen-2-yl)cyclohexyl)diethylamine
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.00091
1-((1-benzo[b]thiophen-2-yl)cyclohexyl)pyrrolidine
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.011
1-((1-benzo[b]thiophen-2-yl)cyclopentyl)piperidine
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.06
1-((1-benzo[b]thiophen-3-yl)cyclohexyl)piperidine
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.1
1-((1-biphenyl-4-yl)cyclohexyl)piperidine
Trypanosoma brucei
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.1
1-((1-naphthalen-1-yl)cyclohexyl)piperidine
Trypanosoma brucei
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.028
1-((1-naphthalen-2-yl)cyclohexyl)piperidine
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.1
1-((1-thiophen-2-yl)cyclohexyl)piperidine
Trypanosoma brucei
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.115
1-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-4-methylpiperazine
Trypanosoma cruzi
-
at 25°C, pH not specified in the publication
0.0487
1-((2-benzhydryloxy)ethyl)piperazine
Trypanosoma brucei
-
in 40 mM HEPES pH 7.4, 1 mM EDTA, at 25°C
0.015
1-((2-benzo[b]thiophen-2-yl)propan-2-yl)piperidine
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.016
1-(1-(3-bromo-benzo[b]thiophen-2-yl)cyclohexyl)piperidine
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.1
1-(1-(5-bromo-benzo[b]thiophen-2-yl)cyclohexyl)piperidine
Trypanosoma brucei
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.0011 - 0.05212
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
0.00233
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-4-yl)methyl)piperazine
Trypanosoma cruzi
-
at 25°C, pH not specified in the publication
0.00369
1-(1-benzo[b]thiophen-2-yl-cyclohexyl)-piperidine
Trypanosoma brucei
-
in 40 mM HEPES pH 7.4, 1 mM EDTA, at 25°C
0.0033
1-(1-benzo[b]thiophen-2-yl-cyclohexyl)piperidine
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.002
1-(1-benzylpiperidin-4-yl)-3-phenylthiourea
Trypanosoma cruzi
-
in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.1
1-(1-benzylpiperidin-4-yl)-3-pyridin-3-ylthiourea
Trypanosoma cruzi
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.1
1-(1-methylpiperidin-3-yl)-3-(2-phenoxyethyl)-1,3-dihydro-2H-benzimidazol-2-imine
Trypanosoma brucei
-
IC50: 0.1 mM
0.057
1-(1-phenylcyclohexyl)piperidine
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.1
1-(1-phenylpiperidin-4-yl)-3-propylthiourea
Trypanosoma cruzi
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.005
1-(2,4-dichlorophenoxy)-3-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]propan-2-ol
Trypanosoma brucei
-
IC50: 0.005 mM
0.00012 - 0.00633
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
0.00013 - 0.0024
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
0.0109
1-(2-(benzhydryloxy)ethyl)-4-(3-phenylpropyl)piperazine
Trypanosoma brucei
-
in 40 mM HEPES pH 7.4, 1 mM EDTA, at 25°C
0.004
1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)-1,3-dihydro-2H-benzimidazol-2-imine
Trypanosoma brucei
-
IC50: 0.004 mM
0.009
1-(2-phenoxyethyl)-3-[2-(piperidin-1-yl)ethyl]-1,3-dihydro-2H-benzimidazol-2-imine
Trypanosoma cruzi
-
in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.00255 - 0.0695
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
0.00236 - 0.0512
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
0.0002 - 0.004
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
0.009
1-(3,4-dichlorophenyl)-2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
Trypanosoma brucei
-
IC50: 0.009 mM
0.01
1-(3,4-dichlorophenyl)-2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanone
Trypanosoma brucei
-
IC50: 0.01 mM
0.0006 - 0.01
1-(3,4-dichlorophenyl)-2-[3-[2-(dimethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
0.007
1-(3-phenoxypropyl)-3-(2-piperidin-1-ylethyl)-1,3-dihydro-2H-benzimidazol-2-imine
Trypanosoma brucei
-
IC50: 0.007 mM
0.0345
1-(3-phenylpropyl)piperazine
Trypanosoma brucei
-
in 40 mM HEPES pH 7.4, 1 mM EDTA, at 25°C
0.0026
1-(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidinyl-1'-yl)-2-(dimethyl-amino)ethanone
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.012
1-(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidinyl-1'-yl)-2-phenyl-ethanone
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.0066
1-(4'-benzo[b]thiophen-2-yl)-1,4'-(bipiperidine-1'-yl)ethanone
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.1
1-(4,6,8-trimethylquinazolin-2-yl)guanidine
Trypanosoma cruzi
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.1
1-(4-bromophenyl)-2-(3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethanol
Trypanosoma brucei
-
IC50: 0.1 mM, 42% inhibition at 0.025 mM
0.1
1-(4-ethoxyphenyl)-2-(2-imino-3-prop-2-en-1-yl-2,3-dihydro-1H-benzimidazol-1-yl)ethanol
Trypanosoma brucei
-
IC50: 0.1 mM, 6% inhibition at 0.025 mM
0.1
1-(4-methylquinazolin-2-yl)guanidine
Trypanosoma cruzi
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.008
1-(5-phenoxypentyl)-3-(2-piperidin-1-ylethyl)-1,3-dihydro-2H-benzimidazol-2-imine
Trypanosoma brucei
-
IC50: 0.008 mM
0.1
1-(methylsulfanyl)-4-[3-(methylsulfanyl)-1,2,4-triazin-5-yl]-5,6,7,8-tetrahydroisoquinoline
Trypanosoma cruzi
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.00323 - 0.194
1-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-4-methylpiperazine
0.0452 - 0.1
1-benzyl-4-[[(1E)-(1-cyclohexyl-2,4,6-trioxohexahydropyrimidin-5-yl)methylidene]amino]-1-methylpiperidinium
0.025
1-biphenyl-4-yl-2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanone
Trypanosoma brucei
-
IC50: 0.025 mM
0.1
1-ethyl-6-methyl-3-(pyridin-3-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
Trypanosoma brucei
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.0128
1-ethyl-6-methyl-3-(thiophen-2-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.0113
1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.0026
1-ethyl-6-methyl-3-[(Z)-2-phenylethenyl]pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.0152
1-ethyl-6-methyl-3-[4-(trifluoromethyl)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.036
1-methyl-(2-(1-piperidin-1-yl)cyclohexyl)-1H-indole
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.033
1-phenyl-3-(1-phenylpiperidin-4-yl)thiourea
Trypanosoma cruzi
-
in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.1
1-phenyl-3-[1-(pyridin-3-yl)piperidin-4-yl]urea
Trypanosoma cruzi
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.1
1-propylbenzene
Trypanosoma brucei
-
IC50 above 0.1 mM, in 40 mM HEPES pH 7.4, 1 mM EDTA, at 25°C
0.00039 - 0.025
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
0.00023 - 0.00424
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
0.00194
1-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yloxy)ethyl]-4-(3-phenyl-propyl)piperazine
Trypanosoma brucei
-
in 40 mM HEPES pH 7.4, 1 mM EDTA, at 25°C
0.0269
1-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yloxy)ethyl]-4-(E)-(3-phenyl-allyl)piperazine
Trypanosoma brucei
-
in 40 mM HEPES pH 7.4, 1 mM EDTA, at 25°C
0.0515
1-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yloxy)ethyl]-piperazine
Trypanosoma brucei
-
in 40 mM HEPES pH 7.4, 1 mM EDTA, at 25°C
0.0025
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethyl-aminomethyl)-ferrocenylmethyl]-3-p-chloro-phenyl-urea
Trypanosoma cruzi
-
-
0.002
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-3-[2,6-bis-(trifluoromethyl)-phenyl]-urea
Trypanosoma cruzi
-
-
0.0023
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-p-methoxyphenyl-urea
Trypanosoma cruzi
-
-
0.0105
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-[2,4-bis-(trifluoromethyl)-phenyl]-urea
Trypanosoma cruzi
-
-
0.1
1-[2-imino-3-(2-morpholin-4-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-phenoxypropan-2-ol
Trypanosoma brucei
-
IC50: 0.1 mM
0.1
1-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3,3-dimethylbutan-2-ol
Trypanosoma brucei
-
IC50: 0.1 mM, 66% inhibition at 0.025 mM
0.016
1-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
Trypanosoma brucei
-
IC50: 0.016 mM
0.005
1-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-phenoxypropan-2-ol
Trypanosoma brucei
-
IC50: 0.005 mM
0.1
1-[2-imino-3-(morpholin-4-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-(4-methylphenoxy)propan-2-ol
Trypanosoma brucei
-
IC50: 0.1 mM
0.009
1-[2-imino-3-(piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-(4-methylphenoxy)propan-2-ol
Trypanosoma brucei
-
IC50: 0.009 mM
0.00009 - 0.0337
1-[2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
0.0587 - 0.0753
12-chloro-1,1-dimethyl-1,2,3,4,4a,13b-hexahydrodibenzo[2,3:6,7]thiepino[4,5-b]pyridin-1-ium
0.059
2,2'-(2-imino-1H-benzimidazole-1,3(2H)-diyl)bis(N,N-diethylethanamine)
Trypanosoma brucei
-
IC50: 0.059 mM
0.1
2-(3-benzyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)-1-(4-chlorophenyl)ethanol
Trypanosoma brucei
-
IC50: 0.1 mM, 32% inhibition at 0.025 mM
0.1
2-(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidinyl-1'-yl)-N,N-dimethylethanamine
Trypanosoma brucei
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.1
2-(5-methylfuran-2-yl)-N-(2-morpholinoethyl)quinoline-4-carboxamide
Trypanosoma brucei
-
40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.0844 - 0.1
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-[2-(phenylsulfanyl)phenyl]acetamide
0.00531 - 0.0783
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
0.00093 - 0.0309
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
0.00075
2-chloro-10-(3-(4-(3-phenylpropyl)piperazin-1-yl)propyl)-10H-phenothiazine
Trypanosoma brucei
-
in 40 mM HEPES pH 7.4, 1 mM EDTA, at 25°C
0.00132
2-[(4-bromophenyl)sulfanyl]-5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]aniline
Trypanosoma brucei rhodesiense
-
-
0.024
2-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanol
Trypanosoma brucei
-
IC50: 0.024 mM, 85% inhibition at 0.025 mM
0.0319 - 0.0354
2-[3-(2-chloro-10H-phenothiazin-10-yl)-3-oxopropyl]octahydro-2H-pyrido[1,2-a]pyrazinediium
0.007
2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
Trypanosoma brucei
-
IC50: 0.007 mM, 91% inhibition at 0.025 mM
0.019
2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methylphenyl)ethanol
Trypanosoma brucei
-
IC50: 0.019 mM
0.029
2-[3-[2-(dimethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methylphenyl)ethanol
Trypanosoma brucei
-
IC50: 0.029 mM
0.035
2-[3-[2-(dimethylamino)propyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methylphenyl)ethanol
Trypanosoma brucei
-
IC50: 0.035 mM
0.00082 - 0.112
2-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
0.00088 - 0.18
2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
0.0003
3,3'-[butane-1,4-diylbis[(3-aminopropyl)imino]]bis(N-[5-chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl]propanamide)
Trypanosoma cruzi
-
IC50: 0.0003 mM
0.0033
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-oxopropan-1-aminium chloride
Trypanosoma brucei
-
-
0.1
3-(5-bromo-2-fluorophenyl)-1-butyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
Trypanosoma brucei
-
IC50 above 0.1 mM, 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.1
3-(5-bromo-2-fluorophenyl)-1-cyclopentyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
Trypanosoma brucei
-
IC50 above 0.1 mM, 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.0102
3-(5-bromo-2-fluorophenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.1
3-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
Trypanosoma brucei
-
IC50 above 0.1 mM, 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.05
3-(5-bromo-2-fluorophenyl)-6-methyl-1-(propan-2-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
Trypanosoma brucei
-
IC50 above 0.05 mM, 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.1
3-(5-bromo-2-fluorophenyl)-6-methylpyrimido[5,4-e,1,2,4]triazine-5,7(1H,6H)dione
Trypanosoma brucei
-
IC50 above 0.1 mM, 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.092
3-(5-bromo-2-fluorophenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
Trypanosoma brucei
-
40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.013
3-(5-bromothiophen-2-yl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.1
3-(methylsulfanyl)-5-phenyl-1,2,4-triazine
Trypanosoma cruzi
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.000068 - 0.00068
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
0.000077 - 0.00077
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
0.015
3-benzyl-1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
Trypanosoma cruzi
-
-
0.0032
3-Benzyl-1-[3-(7-chloro-quinolin-4-ylamino)-propyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
Trypanosoma cruzi
-
-
0.0033
3-Benzyl-1-[4-(7-chloro-quinolin-4-ylamino)-butyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
Trypanosoma cruzi
-
-
0.0024
3-Benzyl-1-[6-(7-chloro-quinolin-4-ylamino)-hexyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
Trypanosoma cruzi
-
-
0.0065
3-Chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz(b,f)azepine
Trypanosoma cruzi
-
IC50: 0.0065 mM
0.052
3-cyano-1-azabicyclo[2.2.2]oct-3-yl acetate
Trypanosoma cruzi
-
in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.027
3-methoxy-3'-(methylsulfanyl)-5,5'-bi-1,2,4-triazine
Trypanosoma cruzi
-
in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.1
3-Phenylpropylamine
Trypanosoma brucei
-
IC50 above 0.1 mM, in 40 mM HEPES pH 7.4, 1 mM EDTA, at 25°C
0.000102 - 0.00102
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
0.000059 - 0.00059
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
0.019
4'-(benzo[b]thiophen-2-yl)-1'-benzyl-1,4'-bipiperidine
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.00093
4'-(benzo[b]thiophen-2-yl)-1'-methyl-1,4'bipiperidine
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.0051
4'-(benzo[b]thiophen-2-yl)-[1,4']bipiperidine
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.017
4,6,8-trimethyl-N-(4,4,6-trimethyl-1,4-dihydropyrimidin-2-yl)quinazolin-2-amine
Trypanosoma cruzi
-
in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.0044
4-(2-(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidin-1'-yl)ethyl)morpholine
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.000251
4-chloromercuribenzoic acid
Trypanosoma brucei
-
in 40 mM HEPES pH 7.4, 1 mM EDTA, at 25°C
0.011
4-[1-(1-benzothiophen-2-yl)cyclohexyl]morpholine
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.00121 - 0.0268
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
0.001 - 0.0246
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
0.1
4-[6-[(3-chlorophenyl)carbamoyl]-4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-1-methylpiperazin-1-ium
0.1
5,6-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]pyrimidin-4-ol
Trypanosoma cruzi
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.0297
5-(2-chloroethoxy)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene
Trypanosoma brucei
-
in 40 mM HEPES pH 7.4, 1 mM EDTA, at 25°C
0.00097
5-chloro-2-[(4-chlorophenyl)sulfanyl]-N-[3-(4-methylpiperazin-1-yl)propyl]aniline
Trypanosoma brucei rhodesiense
-
-
0.0007
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-1-ylphenyl)sulfanyl]aniline
Trypanosoma brucei rhodesiense
-
-
0.0007
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-2-ylphenyl)sulfanyl]aniline
Trypanosoma brucei rhodesiense
-
-
0.0009
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[2-(trifluoromethyl)phenyl]sulfanyl]aniline
Trypanosoma brucei rhodesiense
-
-
0.00106
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfanyl]aniline
Trypanosoma brucei rhodesiense
-
-
0.00203
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[4-(trifluoromethyl)phenyl]sulfanyl]aniline
Trypanosoma brucei rhodesiense
-
-
0.0042
6-bromo-2-(5-methylfuran-2-yl)-N-(2-morpholinoethyl)quinoline-4-carboxamide
Trypanosoma brucei
-
40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.0084
6-bromo-2-(5-methylfuran-2-yl)-N-(4-sulfamoylbenzyl)quinoline-4-carboxamide
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.1
6-bromo-2-(5-methylfuran-2-yl)-N-(morpholin-4-yl)quinoline-4-carboxamide
Trypanosoma brucei
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.0047
6-bromo-2-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
Trypanosoma brucei
-
40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.0072
6-bromo-2-(5-methylfuran-2-yl)-N-(pyridin-3-yl)quinoline-4-carboxamide
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.1
6-bromo-2-(5-methylfuran-2-yl)-N-phenethylquinoline-4-carboxamide
Trypanosoma brucei
-
IC50 above 0.1 mM, 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.0012
6-bromo-N,N,N-trimethyl-2-(2-(5-methylfuran-2-yl)quinoline-4-carboxamido)ethanaminium iodide
Trypanosoma brucei
-
40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.0017
6-bromo-N-(2-(dimethylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
Trypanosoma brucei
-
40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.1
6-bromo-N-(2-(dimethylamino)ethyl)-2-(5-methylthiophen-2-yl)-quinoline-4-carboxamide
Trypanosoma brucei
-
IC50 above 0.1 mM, 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.0324
6-bromo-N-(2-(dimethylamino)ethyl)-2-(furan-2-yl)quinoline-4-carboxamide
Trypanosoma brucei
-
40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.0011
6-bromo-N-(2-(methylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
Trypanosoma brucei
-
40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.1
6-bromo-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
Trypanosoma brucei
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.0963
6-bromo-N-[2-(dimethylamino)ethyl]-2-(pyridin-4-yl)quinoline-4-carboxamide
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.1
6-bromo-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide
Trypanosoma brucei
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.0051 - 0.1
6-bromo-N-[3-(1H-imidazol-1-ylamino)propyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
0.0116
6-chloro-2-(5-methylfuran-2-yl)-N-[3-(morpholin-4-yl)propyl]quinoline-4-carboxamide
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.0265
6-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.028
7-ethoxy-4-methyl-N-(4,4,6-trimethyl-4,5-dihydropyrimidin-2-yl)quinazolin-2-amine
Trypanosoma cruzi
-
in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.032
7-ethyl-4-methyl-N-(4,4,6-trimethyl-4,5-dihydropyrimidin-2-yl)quinazolin-2-amine
Trypanosoma cruzi
-
in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.00039 - 0.019
7-methoxy-N-[2-([[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl)-3-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl]-4a,9a-dihydroacridin-2-amine
0.0051
8-bromo-N-(2-(dimethylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
Trypanosoma brucei
-
40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.0408
Ac-PEIIQSVGISMKM-NH2
Leishmania infantum
-
pH and temperature not specified in the publication
0.0336
Ac-PEIIQSVGISNLKNL-NH2
Leishmania infantum
-
pH and temperature not specified in the publication
0.0179
Ac-PKIIQSVGISMKM-NH2
Leishmania infantum
-
pH and temperature not specified in the publication
0.0157
Ac-PKIIQSVGISNLKNL-NH2
Leishmania infantum
-
pH and temperature not specified in the publication
0.0061
Au-(N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide)Cl
Leishmania infantum
-
at pH 7.5 and 25°C
-
0.1
benzo[b]thiophen-2-yl(1-(piperidin-1-yl)cyclohexyl)methanone
Trypanosoma brucei
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.0021
bromoacetyl alprenolol menthane
Trypanosoma brucei
-
in 40 mM HEPES pH 7.4, 1 mM EDTA, at 25°C
0.029
cis-3-oxo-8,9b-bis-(trans-N-(acrylamidospermidyl))-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
IC50: 0.029 mM
0.056
cis-3-oxo-8-trans-(N-acrylamidospermidyl)-9b-trans-ethylacrylyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
IC50: 0.056 mM
0.1
diphenyl(1-(piperidin-1-yl)cyclohexyl)methanol
Trypanosoma brucei
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.004
heptyl (2E)-2-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazinecarboxylate
Trypanosoma cruzi
-
-
0.0036
hexyl (2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinecarboxylate
Trypanosoma cruzi
-
-
0.00061 - 0.0243
N'-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N,N-dimethylethane-1,2-diamine
0.00206
N'-(5-chloro-2-[[2-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine
Trypanosoma brucei rhodesiense
-
-
0.00116
N'-(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine
Trypanosoma brucei rhodesiense
-
-
0.00233
N'-[2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]-N,N-dimethylpropane-1,3-diamine
Trypanosoma brucei rhodesiense
-
-
0.001 - 0.0342
N'-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N,N-dimethylethane-1,2-diamine
0.00189
N'-[5-chloro-2-(naphthalen-1-ylsulfanyl)phenyl]-N,N-dimethylpropane-1,3-diamine
Trypanosoma brucei rhodesiense
-
-
0.00162
N'-[5-chloro-2-(naphthalen-2-ylsulfanyl)phenyl]-N,N-dimethylpropane-1,3-diamine
Trypanosoma brucei rhodesiense
-
-
0.001144
N'-[5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]-N,N-dimethylpropane-1,3-diamine
Trypanosoma brucei rhodesiense
-
-
0.0485
N,N'-(furan-2,5-diyldibenzene-4,1-diyl)diacetamide
Trypanosoma cruzi
-
IC50: 0.0485 mM, 54% inhibition at 0.02 mg/ml
0.1
N,N-diethyl-2-(2-imino-3-prop-2-en-1-yl-2,3-dihydro-1H-benzimidazol-1-yl)ethanamine
Trypanosoma brucei
-
IC50: 0.1 mM, 31% inhibition at 0.025 mM
0.008
N,N-diethyl-2-[2-imino-3-(2-phenoxyethyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanamine
Trypanosoma brucei
-
IC50: 0.008 mM
0.0029
N,N-dimethyl-3-[4-(methylsulfonyl)phenyl]-3-oxopropan-1-aminium chloride
Trypanosoma brucei
-
-
0.0144
N-(2-(dimethylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
Trypanosoma brucei
-
40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.1
N-(2-(dimethylamino)ethyl)-6-fluoro-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
Trypanosoma brucei
-
IC50 above 0.1 mM, 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.1
N-(2-phenoxyethyl)-N'-(2-piperidin-1-ylethyl)benzene-1,2-diamine
Trypanosoma brucei
-
IC50: 0.1 mM
0.0002 - 0.0093
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-2-(4-methylpiperazin-1-yl)acetamide
0.0016 - 0.104
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N2,N2-dimethylglycinamide
0.006 - 0.0469
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
0.00179 - 0.0566
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
0.0024
N-(3,5-di-tert-butyl-4-hydroxybenzyl)-2-hydroxyethanaminium chloride
Trypanosoma brucei
-
-
0.1
N-(4,6-dimethylpyrimidin-2-yl)-4,5,7-trimethylquinazolin-2-amine
Trypanosoma cruzi
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.1
N-(4,6-dimethylpyrimidin-2-yl)-4,6-dimethylquinazolin-2-amine
Trypanosoma cruzi
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.0027
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-butane-1,4-diamine
Trypanosoma cruzi
-
-
0.0476
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-ethane-1,2-diamine
Trypanosoma cruzi
-
-
0.0021
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-hexane-1,6-diamine
Trypanosoma cruzi
-
-
0.0068
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-propane-1,3-diamine
Trypanosoma cruzi
-
-
0.00028 - 0.0116
N-([2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-N-ethylethanamine
0.1
N-benzyl-6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
Trypanosoma brucei
-
IC50 above 0.1 mM, 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.1
N-[(2E)-1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]acetamide
Trypanosoma brucei
-
IC50: 0.1 mM
0.033
N-[(4-chlorophenyl)(phenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
Trypanosoma cruzi
-
in 40 mM HEPES, 1 mM EDTA, 0.01% (v/v) bovine serum albumin, 0.05% (v/v) Tween 20, pH 7.5, 22°C
0.1
N-[2-[(4-chlorophenyl)sulfanyl]phenyl]-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetamide
0.0368
N-[2-[(4-chlorophenyl)sulfanyl]phenyl]-2-phenylacetamide
Trypanosoma cruzi
-
IC50: 0.0368 mM
0.0445
N-[2-[(4-chlorophenyl)sulfanyl]phenyl]-4-nitrobenzamide
Trypanosoma cruzi
-
IC50: 0.0445 mM
0.00102 - 0.0093
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
0.00274 - 0.121
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
0.00063 - 0.0158
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
0.00091 - 0.0576
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
0.1
phenyl(1-(piperidin-1-yl)cyclohexyl)methanone
Trypanosoma brucei
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.1
tert-butyl 4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidine-1'-carboxylate
Trypanosoma brucei
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA (pH 7.4)
0.173
trans-4-[3-(3,4-dichlorophenyl)indan-1-yl]morpholine
Trypanosoma brucei
-
in 40 mM HEPES (pH 7.5), temperature not specified in the publication
0.00307
trans-benzyl-[3-(3,4-dichlorophenyl)-6-methoxyindan-1-yl]amine
Trypanosoma brucei
-
in 40 mM HEPES (pH 7.5), temperature not specified in the publication
0.2
trans-N-[3-(3,4-dichlorophenyl)indan-1-yl]-4-methylbenzenesulfonamide
Trypanosoma brucei
-
IC50 above 0.2 mM, in 40 mM HEPES (pH 7.5), temperature not specified in the publication
0.2
trans-N-[3-(3,4-dichlorophenyl)indan-1-yl]acetamide
Trypanosoma brucei
-
IC50 above 0.2 mM, in 40 mM HEPES (pH 7.5), temperature not specified in the publication
0.00315
trans-[3-(3,4-dibromophenyl)-6-methoxyindan-1-yl]-(3-methylbutyl)amine
Trypanosoma brucei
-
in 40 mM HEPES (pH 7.5), temperature not specified in the publication
0.00223
trans-[3-(3,4-dichlorophenyl)-6-methoxyindan-1-yl]-(3-methylbutyl)amine
Trypanosoma brucei
-
in 40 mM HEPES (pH 7.5), temperature not specified in the publication
0.0459
trans-[3-(3,4-dichlorophenyl)indan-1-yl]-(3,4-dichlorobenzyl)amine
Trypanosoma brucei
-
in 40 mM HEPES (pH 7.5), temperature not specified in the publication
0.00405
trans-[3-(3,4-dichlorophenyl)indan-1-yl]-(3-methylbutyl)amine
Trypanosoma brucei
-
in 40 mM HEPES (pH 7.5), temperature not specified in the publication
0.00494
trans-[3-(3,4-dichlorophenyl)indan-1-yl]-(4-aminobenzyl)amine
Trypanosoma brucei
-
in 40 mM HEPES (pH 7.5), temperature not specified in the publication
0.0176
trans-[3-(3,4-dichlorophenyl)indan-1-yl]-(4-chlorobenzyl)amine
Trypanosoma brucei
-
in 40 mM HEPES (pH 7.5), temperature not specified in the publication
0.00738
trans-[3-(3,4-dichlorophenyl)indan-1-yl]-(4-dimethylaminobenzyl)amine
Trypanosoma brucei
-
in 40 mM HEPES (pH 7.5), temperature not specified in the publication
0.00414
trans-[3-(3,4-dichlorophenyl)indan-1-yl]-(4-methoxybenzyl)amine
Trypanosoma brucei
-
in 40 mM HEPES (pH 7.5), temperature not specified in the publication
0.013
trans-[3-(3,4-dichlorophenyl)indan-1-yl]-(4-methylbenzyl)amine
Trypanosoma brucei
-
in 40 mM HEPES (pH 7.5), temperature not specified in the publication
0.00793
trans-[3-(3,4-dichlorophenyl)indan-1-yl]octylamine
Trypanosoma brucei
-
in 40 mM HEPES (pH 7.5), temperature not specified in the publication
0.0158
trans-[3-(4-chlorophenyl)-6-methoxyindan-1-yl]-(3-methylbutyl)-amine
Trypanosoma brucei
-
in 40 mM HEPES (pH 7.5), temperature not specified in the publication
0.125
trans-[3-(4-methoxyphenyl)-6-methoxyindan-1-yl]-(3-methylbutyl)amine
Trypanosoma brucei
-
in 40 mM HEPES (pH 7.5), temperature not specified in the publication
0.0329
trans-[3-(4-methylphenyl)-6-methoxyindan-1-yl]-(3-methylbutyl)-amine
Trypanosoma brucei
-
in 40 mM HEPES (pH 7.5), temperature not specified in the publication
0.00505
[Au((S)-4-Bn-2-(pyridin-2-yl)-4,5-dihydro-oxazole)Cl2][PF6]
Leishmania infantum
-
at pH 7.5 and 25°C
-
0.0014
[Au((S)-4-iPr-2-(pyridin-2-yl)-4,5-dihydro-oxazole)Cl2][PF6]
Leishmania infantum
-
at pH 7.5 and 25°C
-
0.0006
[Cl2AuIII(2-(2'-pyridyl)benzimidazole)AuI(PPh3)](PF6)
Leishmania infantum
-
at pH 7.5 and 25°C
-
0.1
(3'R,4'R)-3'-carbamoyl-1'-(2-oxo-2-[[2-(phenylsulfanyl)phenyl]amino]ethyl)-1,4'-bipiperidinium
Trypanosoma brucei
-
IC50 above 0.1 mM
0.1
(3'R,4'R)-3'-carbamoyl-1'-(2-oxo-2-[[2-(phenylsulfanyl)phenyl]amino]ethyl)-1,4'-bipiperidinium
Trypanosoma cruzi
-
IC50 above 0.1 mM
0.0011
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
Leishmania donovani
-
at 25°C, pH not specified in the publication
0.0013
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
Plasmodium falciparum
-
at 25°C, pH not specified in the publication
0.00211
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
Trypanosoma brucei rhodesiense
-
at 25°C, pH not specified in the publication
0.05212
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
Trypanosoma cruzi
-
at 25°C, pH not specified in the publication
0.00012
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
Plasmodium falciparum
-
at 25°C, pH not specified in the publication
0.00032
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
Trypanosoma brucei rhodesiense
-
at 25°C, pH not specified in the publication
0.00253
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
Leishmania donovani
-
at 25°C, pH not specified in the publication
0.00633
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
Trypanosoma cruzi
-
at 25°C, pH not specified in the publication
0.00013
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
Plasmodium falciparum
-
at 25°C, pH not specified in the publication
0.00023
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
Trypanosoma brucei rhodesiense
-
at 25°C, pH not specified in the publication
0.00186
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
Leishmania donovani
-
at 25°C, pH not specified in the publication
0.0024
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
Trypanosoma cruzi
-
at 25°C, pH not specified in the publication
0.1
1-(2-oxo-2-[[2-(phenylsulfanyl)phenyl]amino]ethyl)-4-phenylpiperazin-1-ium
Trypanosoma brucei
-
IC50 above 0.1 mM
0.1
1-(2-oxo-2-[[2-(phenylsulfanyl)phenyl]amino]ethyl)-4-phenylpiperazin-1-ium
Trypanosoma cruzi
-
IC50 above 0.1 mM
0.00255
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
Plasmodium falciparum
-
at 25°C
0.0119
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
Trypanosoma brucei rhodesiense
-
at 25°C
0.0695
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
Trypanosoma cruzi
P28593
at 25°C
0.00236
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
Plasmodium falciparum
-
at 25°C
0.0085
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
Trypanosoma brucei rhodesiense
-
at 25°C
0.0512
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
Trypanosoma cruzi
P28593
at 25°C
0.0002
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
Trypanosoma brucei rhodesiense
-
-
0.004
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
Trypanosoma brucei
-
IC50: 0.004 mM
0.0006
1-(3,4-dichlorophenyl)-2-[3-[2-(dimethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
Trypanosoma brucei rhodesiense
-
-
0.01
1-(3,4-dichlorophenyl)-2-[3-[2-(dimethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
Trypanosoma brucei
-
IC50: 0.01 mM, 92% inhibition at 0.025 mM
0.1
1-(3-bromobenzyl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane
Trypanosoma brucei
-
IC50 above 0.1 mM
0.1
1-(3-bromobenzyl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane
Trypanosoma cruzi
-
IC50 above 0.1 mM
0.1
1-(4-methylphenyl)-5-oxo-N-[2-(phenylsulfanyl)phenyl]pyrrolidine-3-carboxamide
Trypanosoma brucei
-
IC50 above 0.1 mM
0.1
1-(4-methylphenyl)-5-oxo-N-[2-(phenylsulfanyl)phenyl]pyrrolidine-3-carboxamide
Trypanosoma cruzi
-
IC50 above 0.1 mM
0.0291
1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-ethylpiperazinediium
Trypanosoma cruzi
-
-
0.036
1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-ethylpiperazinediium
Trypanosoma brucei
-
-
0.00323
1-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-4-methylpiperazine
Plasmodium falciparum
-
at 25°C, pH not specified in the publication
0.00458
1-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-4-methylpiperazine
Trypanosoma brucei rhodesiense
-
at 25°C, pH not specified in the publication
0.0759
1-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-4-methylpiperazine
Trypanosoma cruzi
-
at 25°C, pH not specified in the publication
0.194
1-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-4-methylpiperazine
Leishmania donovani
-
at 25°C, pH not specified in the publication
0.0452
1-benzyl-4-[[(1E)-(1-cyclohexyl-2,4,6-trioxohexahydropyrimidin-5-yl)methylidene]amino]-1-methylpiperidinium
Trypanosoma cruzi
-
-
0.1
1-benzyl-4-[[(1E)-(1-cyclohexyl-2,4,6-trioxohexahydropyrimidin-5-yl)methylidene]amino]-1-methylpiperidinium
Trypanosoma brucei
-
IC50 above 0.1 mM
0.00039
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
Plasmodium falciparum
-
at 25°C, pH not specified in the publication
0.0106
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
Trypanosoma cruzi
-
at 25°C, pH not specified in the publication
0.0239
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
Leishmania donovani
-
at 25°C, pH not specified in the publication
0.025
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
Trypanosoma brucei rhodesiense
-
at 25°C, pH not specified in the publication
0.00023
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
Plasmodium falciparum
-
at 25°C, pH not specified in the publication
0.0016
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
Trypanosoma brucei rhodesiense
-
at 25°C, pH not specified in the publication
0.00401
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
Leishmania donovani
-
at 25°C, pH not specified in the publication
0.00424
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
Trypanosoma cruzi
-
at 25°C, pH not specified in the publication
0.1
1-[2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl]azepanium
Trypanosoma brucei
-
IC50 above 0.1 mM
0.00009
1-[2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
Plasmodium falciparum
-
at 25°C, pH not specified in the publication
0.00173
1-[2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
Trypanosoma brucei rhodesiense
-
at 25°C, pH not specified in the publication
0.0122
1-[2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
Trypanosoma cruzi
-
at 25°C, pH not specified in the publication
0.0337
1-[2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
Leishmania donovani
-
at 25°C, pH not specified in the publication
0.0587
12-chloro-1,1-dimethyl-1,2,3,4,4a,13b-hexahydrodibenzo[2,3:6,7]thiepino[4,5-b]pyridin-1-ium
Trypanosoma brucei
-
-
0.0753
12-chloro-1,1-dimethyl-1,2,3,4,4a,13b-hexahydrodibenzo[2,3:6,7]thiepino[4,5-b]pyridin-1-ium
Trypanosoma cruzi
-
-
0.1
2-(2,4-dioxo-1,3-diazaspiro[4.6]undec-3-yl)-N-[2-(phenylsulfanyl)phenyl]acetamide
Trypanosoma brucei
-
IC50 above 0.1 mM
0.1
2-(2,4-dioxo-1,3-diazaspiro[4.6]undec-3-yl)-N-[2-(phenylsulfanyl)phenyl]acetamide
Trypanosoma cruzi
-
IC50 above 0.1 mM
0.0844
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-[2-(phenylsulfanyl)phenyl]acetamide
Trypanosoma cruzi
-
-
0.1
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-[2-(phenylsulfanyl)phenyl]acetamide
Trypanosoma brucei
-
IC50 above 0.1 mM
0.00531
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
Plasmodium falciparum
-
at 25°C
0.0268
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
Trypanosoma brucei rhodesiense
-
at 25°C
0.0783
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
Trypanosoma cruzi
P28593
at 25°C
0.00093
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
Plasmodium falciparum
-
at 25°C
0.0098
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
Trypanosoma brucei rhodesiense
-
at 25°C
0.0309
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
Trypanosoma cruzi
P28593
at 25°C
0.0319
2-[3-(2-chloro-10H-phenothiazin-10-yl)-3-oxopropyl]octahydro-2H-pyrido[1,2-a]pyrazinediium
Trypanosoma brucei
-
-
0.0354
2-[3-(2-chloro-10H-phenothiazin-10-yl)-3-oxopropyl]octahydro-2H-pyrido[1,2-a]pyrazinediium
Trypanosoma cruzi
-
-
0.00082
2-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
Plasmodium falciparum
-
at 25°C, pH not specified in the publication
0.00327
2-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
Trypanosoma brucei rhodesiense
-
at 25°C, pH not specified in the publication
0.0539
2-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
Trypanosoma cruzi
-
at 25°C, pH not specified in the publication
0.112
2-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
Leishmania donovani
-
at 25°C, pH not specified in the publication
0.00088
2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
Trypanosoma brucei rhodesiense
-
at 25°C, pH not specified in the publication
0.00627
2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
Plasmodium falciparum
-
at 25°C, pH not specified in the publication
0.162
2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
Trypanosoma cruzi
-
at 25°C, pH not specified in the publication
0.18
2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
Leishmania donovani
-
at 25°C, pH not specified in the publication
0.0367
3-(11H-dibenzo[b,e][1,4]dithiepin-11-yl)-N,N-dimethylpropan-1-aminium
Trypanosoma cruzi
-
-
0.0373
3-(11H-dibenzo[b,e][1,4]dithiepin-11-yl)-N,N-dimethylpropan-1-aminium
Trypanosoma brucei
-
-
0.0115
3-(11H-dibenzo[b,e][1,4]oxathiepin-11-ylmethyl)-1-methylpiperidinium
Trypanosoma cruzi
-
-
0.0146
3-(11H-dibenzo[b,e][1,4]oxathiepin-11-ylmethyl)-1-methylpiperidinium
Trypanosoma brucei
-
-
0.000068
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
Trypanosoma brucei rhodesiense
-
-
0.00068
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
Trypanosoma brucei rhodesiense
-
-
0.000077
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
Trypanosoma brucei rhodesiense
-
-
0.00077
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
Trypanosoma brucei rhodesiense
-
-
0.000102
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
Trypanosoma brucei rhodesiense
-
-
0.00102
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
Trypanosoma brucei rhodesiense
-
-
0.000059
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
Trypanosoma brucei rhodesiense
-
-
0.00059
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
Trypanosoma brucei rhodesiense
-
-
0.00121
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
Plasmodium falciparum
-
at 25°C
0.008
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
Trypanosoma brucei rhodesiense
-
at 25°C
0.0268
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
Trypanosoma cruzi
P28593
at 25°C
0.001
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
Plasmodium falciparum
-
at 25°C
0.0081
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
Trypanosoma brucei rhodesiense
-
at 25°C
0.0246
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
Trypanosoma cruzi
P28593
at 25°C
0.1
4-[6-[(3-chlorophenyl)carbamoyl]-4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-1-methylpiperazin-1-ium
Trypanosoma brucei
-
IC50 above 0.1 mM
0.1
4-[6-[(3-chlorophenyl)carbamoyl]-4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-1-methylpiperazin-1-ium
Trypanosoma cruzi
-
IC50 above 0.1 mM
0.1
6-(naphthalen-2-ylamino)-6-oxohexane-1,5-diaminium
Trypanosoma brucei
-
IC50 above 0.1 mM
0.0051
6-bromo-N-[3-(1H-imidazol-1-ylamino)propyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
Trypanosoma brucei
-
in 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.1
6-bromo-N-[3-(1H-imidazol-1-ylamino)propyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
Trypanosoma brucei
-
IC50 above 0.1 mM, in 40 mM HEPES, 1 mM EDTA, pH 7.4, at 22°C
0.00039
7-methoxy-N-[2-([[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl)-3-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl]-4a,9a-dihydroacridin-2-amine
Plasmodium falciparum
-
at 25°C
0.0007
7-methoxy-N-[2-([[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl)-3-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl]-4a,9a-dihydroacridin-2-amine
Trypanosoma brucei rhodesiense
-
at 25°C
0.019
7-methoxy-N-[2-([[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl)-3-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl]-4a,9a-dihydroacridin-2-amine
Trypanosoma cruzi
P28593
at 25°C
0.0008
hypnophilin
Trypanosoma cruzi
-
using recombinant trypanothione reductase from Trypanosoma cruzi
0.00884
indatraline
Trypanosoma brucei
-
in 40 mM HEPES (pH 7.5), temperature not specified in the publication
0.00061
N'-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N,N-dimethylethane-1,2-diamine
Plasmodium falciparum
-
at 25°C
0.00121
N'-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N,N-dimethylethane-1,2-diamine
Trypanosoma brucei rhodesiense
-
at 25°C
0.0243
N'-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N,N-dimethylethane-1,2-diamine
Trypanosoma cruzi
P28593
at 25°C
0.001
N'-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N,N-dimethylethane-1,2-diamine
Plasmodium falciparum
-
at 25°C
0.00475
N'-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N,N-dimethylethane-1,2-diamine
Trypanosoma brucei rhodesiense
-
at 25°C
0.0342
N'-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N,N-dimethylethane-1,2-diamine
Trypanosoma cruzi
P28593
at 25°C
0.0002
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-2-(4-methylpiperazin-1-yl)acetamide
Plasmodium falciparum
-
at 25°C
0.0053
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-2-(4-methylpiperazin-1-yl)acetamide
Trypanosoma brucei rhodesiense
-
at 25°C
0.0093
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-2-(4-methylpiperazin-1-yl)acetamide
Trypanosoma cruzi
P28593
at 25°C
0.0016
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N2,N2-dimethylglycinamide
Plasmodium falciparum
-
at 25°C
0.0169
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N2,N2-dimethylglycinamide
Trypanosoma brucei rhodesiense
-
at 25°C
0.104
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N2,N2-dimethylglycinamide
Trypanosoma cruzi
P28593
at 25°C
0.006
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
Plasmodium falciparum
-
at 25°C
0.0231
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
Trypanosoma brucei rhodesiense
-
at 25°C
0.0469
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
Trypanosoma cruzi
P28593
at 25°C
0.00179
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
Plasmodium falciparum
-
at 25°C
0.0096
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
Trypanosoma brucei rhodesiense
-
at 25°C
0.0566
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
Trypanosoma cruzi
P28593
at 25°C
0.00028
N-([2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-N-ethylethanamine
Plasmodium falciparum
-
at 25°C, pH not specified in the publication
0.00088
N-([2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-N-ethylethanamine
Trypanosoma brucei rhodesiense
-
at 25°C, pH not specified in the publication
0.00656
N-([2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-N-ethylethanamine
Leishmania donovani
-
at 25°C, pH not specified in the publication
0.0116
N-([2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-N-ethylethanamine
Trypanosoma cruzi
-
at 25°C, pH not specified in the publication
0.1
N-[2-(phenylsulfanyl)phenyl]-2-[(phenylsulfonyl)amino]propanamide
Trypanosoma brucei
-
IC50 above 0.1 mM
0.1
N-[2-(phenylsulfanyl)phenyl]-2-[(phenylsulfonyl)amino]propanamide
Trypanosoma cruzi
-
IC50 above 0.1 mM
0.1
N-[2-[(4-chlorophenyl)sulfanyl]phenyl]-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetamide
Trypanosoma brucei
-
IC50 above 0.1 mM
0.1
N-[2-[(4-chlorophenyl)sulfanyl]phenyl]-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetamide
Trypanosoma cruzi
-
IC50 above 0.1 mM
0.00102
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
Plasmodium falciparum
-
at 25°C
0.0034
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
Trypanosoma brucei rhodesiense
-
at 25°C
0.0093
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
Trypanosoma cruzi
P28593
at 25°C
0.00274
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
Plasmodium falciparum
-
at 25°C
0.0302
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
Trypanosoma brucei rhodesiense
-
at 25°C
0.121
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
Trypanosoma cruzi
P28593
at 25°C
0.00063
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
Plasmodium falciparum
-
at 25°C
0.0051
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
Trypanosoma brucei rhodesiense
-
at 25°C
0.0158
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
Trypanosoma cruzi
P28593
at 25°C
0.00091
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
Plasmodium falciparum
-
at 25°C
0.0192
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
Trypanosoma brucei rhodesiense
-
at 25°C
0.0576
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
Trypanosoma cruzi
P28593
at 25°C
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SPECIFIC ACTIVITY [µmol/min/mg]
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
0.18
-
recombinant mutant C58S: transhydrogenase activity between NADPH and thio-NADP+
0.21
-
recombinant mutant C53A: transhydrogenase activity between NADPH and thio-NADP+
0.44
-
recombinant mutant C53S: transhydrogenase activity between NADPH and thio-NADP+
1.286
-
from the partially purified extract, in 50 mM potassium phosphate containing 1 mM EDTA, 1 mM trypanothione disulfide and 0.1 mM NADPH at pH 7.5 and 25°C
6.49
-
recombinant wild-type: transhydrogenase activity between NADPH and thio-NADP+
284
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pH OPTIMUM
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
7.5
7.8
7.5
-
glutathionylspermidine disulfide + NADPH, additional 2 minor optima at pH 7.0 and pH 8.0
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pH RANGE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
6 - 11
-
less than 15% activity at pH 6.0, about 50% activity at pH 6.5, about 80% activity at pH 7.0, 100% activity at pH 7.5, about 35% activity at pH 8.0, around 30% activity between pH 8.5 and 11.0, no activity at pH 12.0 and less than pH 5.0
6.5 - 9
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TEMPERATURE OPTIMUM
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
25
27
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pI VALUE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
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SOURCE TISSUE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
SOURCE
additional information
-
parasites are cultured in macrophage cell line J774-G8
-
infective metacyclic: high expression level, low activity and expression in non-infective promastigotes
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LOCALIZATION
ORGANISM
UNIPROT
COMMENTARY
GeneOntology No.
LITERATURE
SOURCE
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PDB
SCOP
CATH
ORGANISM
UNIPROT
Trypanosoma brucei brucei (strain 927/4 GUTat10.1)
Trypanosoma brucei brucei (strain 927/4 GUTat10.1)
Trypanosoma brucei brucei (strain 927/4 GUTat10.1)
Trypanosoma brucei brucei (strain 927/4 GUTat10.1)
Trypanosoma brucei brucei (strain 927/4 GUTat10.1)
Trypanosoma brucei brucei (strain 927/4 GUTat10.1)
Trypanosoma brucei brucei (strain 927/4 GUTat10.1)
Trypanosoma brucei brucei (strain 927/4 GUTat10.1)
Trypanosoma brucei brucei (strain 927/4 GUTat10.1)
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MOLECULAR WEIGHT
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
54000
54668
2 * 54668, recombinant enzyme, mass spectrometry and SDS-PAGE
110000
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SUBUNITS
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
dimer
homodimer
additional information
dimer
2 * 54668, recombinant enzyme, mass spectrometry and SDS-PAGE
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Crystallization/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
recombinant glutathione-trypanothione reductase-like enzyme, hanging-drop vapour diffusion method, 0.1 M potasssium phosphate, pH 8.0; substrate-binding and structure analysis
-
hanging drop vapour diffusion method, using ammonium sulfate as precipitant agent, at 21°C
-
hanging drop vapor diffusion method, using 0.1 M bis-Tris propane pH 8.0, 5% (v/v) PEG 400, 2M ammonium sulfate
-
purified recombinant enzyme, reduced by NADPH, inactivated by binding of quinacrine mustard, 13 mg/ml enzyme-inhibitor complex in Na+ malate, pH 6.0, with precipitant 20% w/v PEG 8000, X-ray diffraction structure determination and analysis at 2.7 A resolution
-
substrate binding and crystal structure in complex with trypanothione disulfide, molecular modeling with potential inhibitors
-
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GENERAL STABILITY
ORGANISM
UNIPROT
LITERATURE
the enzyme retains 76.02% and 41.17% activity in the presence of 2 M urea after 1 and 24 h, respectively. The enzyme regains activity up to 54.91% after denaturation in 8 M urea. The enzyme is active even after 24 h of guanidine hydrochloride treatment and contains 74.67% and 13.33% activity in 2 M after 1 and 24 h, respectively. Once denatured with 6 M guanidine hydrochloride, the protein regains 45.73% once guanidine hydrochloride is dialyzed
-
the loss of activity at lower denaturant (urea) concentrations is not coincided by dimer dissociation or structural unfolding
-
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Purification/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
in complex with inhibitor 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine
-
recombinant enzyme is purified by ammonium sulfate precipitation, 2'5'-ADP Sepharose affinity column chromatography, and anion exchange chromatography
-
recombinant overexpression from plasmid in Leishmania donovani and in Trypanosoma cruzi
-
recombinant protein by Ni2+-charged chelating sepharose fast flow
recombinant soluble glutathione-S-transferase fusion protein from Escherichia coli strain BL21(DE3) to homogeneity, 20fold
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Cloned/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
cloned into expression vector and overexpressed in Leishmania donovani and in Trypanosoma cruzi
-
DNA and amino acid sequence determination and analysis, overexpression in Escherichia coli strain BL21(DE3) as soluble glutathione-S-transferase fusion protein
expressed in Escherichia coli BL21(DE3) cells
gene EHTR, DNA and amino acid sequence determination and analysis, phylogenetic analysis
mutant enzyme glutathione reductase-trypanothine reductase, expression in Escherichia coli
-
overexpression of wild-type and mutants C53S, C53A, C58S in Escherichia coli
-
replacement clones of tyrA, cloning of replacement vector, several genotypes
-
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ENGINEERING
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
A34E/R37W
-
glutathione reductase mutant, activity switches to trypanothione reductase, termed GRTR, 700fold more activity with trypanothione disulfide than with glutathione
E436A
-
the mutant shows strongly reduced catalytic efficiency compared to the wild type enzyme
Q439A
-
the mutant shows slightly increased catalytic efficiency compared to the wild type enzyme
W81A
-
the mutant shows reduced catalytic efficiency compared to the wild type enzyme
E201D
-
by site-directed mutagenesis, 5% reductive activity and 50fold increased oxidative activity both compared to wild-type, enhanced quinone reductase activity
E201Q
-
by site-directed mutagenesis, 5% reductive activity and 50fold increased oxidative activity both compared to wild-type, enhanced quinone reductase activity
C53A
-
site-directed mutagenesis, without catalytic active cysteine residue in the active center, no activity with trypanothione disulfide and NADPH, but showing transhydrogenase activity between NADPH and thio-NADP+
C53S
-
site-directed mutagenesis, without catalytic active cysteine residue in the active center, no activity with trypanothione disulfide and NADPH, but showing transhydrogenase activity between NADPH and thio-NADP+
C58S
-
site-directed mutagenesis, without catalytic active cysteine residue in the active center, no activity with trypanothione disulfide and NADPH, but showing transhydrogenase activity between NADPH and thio-NADP+
C53A
-
site-directed mutagenesis, without catalytic active cysteine residue in the active center, no activity with trypanothione disulfide and NADPH, but showing transhydrogenase activity between NADPH and thio-NADP+
-
C53S
-
site-directed mutagenesis, without catalytic active cysteine residue in the active center, no activity with trypanothione disulfide and NADPH, but showing transhydrogenase activity between NADPH and thio-NADP+
-
C58S
-
site-directed mutagenesis, without catalytic active cysteine residue in the active center, no activity with trypanothione disulfide and NADPH, but showing transhydrogenase activity between NADPH and thio-NADP+
-
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Renatured/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
8 M urea treated enzyme can also be reactivated up to 50% of native activity
-
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APPLICATION
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
medicine
pharmacology
additional information
-
modeled structure of trypanothione reductase shows different active site from glutathione reductase, a specific inhibitor against trypanothione reductase can be designed without interfering with host glutathione reductase activity
medicine
-
good target for structure/function studies and trypanicidal inhibitor design
medicine
-
enzyme substrate trypanothione disulfide is the primary target for arsenical drugs against african trypanosomes
medicine
-
inhibition of the enzyme by naphthoquinone and nitrofuran derivatives abolish the cell penetration by the parasite trypomasstigotes, alternate approach to chemotherapy of trypanosomiasis and leishmaniasis, Chagas' disease
medicine
-
inhibition of the enzyme by naphthoquinone and nitrofuran derivatives abolish the cell penetration by the parasite trypomasstigotes, alternate approach to chemotherapy of trypanosomiasis and leishmaniasis, Chagas' disease
medicine
-
nitrofuran derivatives show antiparasitic effect on the trypanocidal drug design target trypanothione reductase
medicine
-
good target for structure/function studies and trypanicidal inhibitor design
medicine
-
potential target for drug design against trypanosomiasis
medicine
-
target for rational approach to design new anti-leishmanial chemotherapeutic agents
medicine
-
good target for structure/function studies and trypanicidal inhibitor design; potential target for drug design against trypanosomiasis
medicine
-
potential target for drug design against trypanosomiasis
medicine
enzyme is a target for development of antileishmanial drugs
medicine
-
hypnophilin is good candidate for developing new drugs against Chagas disease
pharmacology
-
trypanothione reductase plays a central role in the trypanosomatid parasite’s defense against oxidative stress, trypanothione reductase is a promising target for antitrypanosomal drugs, 2-iminobenzimidazole class are potent trypanothione reductase inhibitors against Trypanosoma brucei rhodesiense and low cytotoxicity against human cells
pharmacology
-
trypanothione reductase plays a central role in the trypanosomatid parasite’s defense against oxidative stress, trypanothione reductase is a promising target for antitrypanosomal drugs, novel inhibitors are identified
pharmacology
-
trypanothione reductase plays a central role in the trypanosomatid parasite’s defense against oxidative stress, trypanothione reductase is a promising target for antitrypanosomal drugs, synthesis of dethiotrypanothione and related trypanothione analogues featuring ring-closing olefin metathesis macrocyclizations is described
pharmacology
-
trypanothione reductase plays a central role in the trypanosomatid parasite’s defense against oxidative stress, trypanothione reductase is a promising target for antitrypanosomal drugs, binding affinity towards trypanothione reductase and glutathione reductase of nitrofuran derivatives is assessed by standard molecular docking procedures and both, energy and structural output analysis, nitrofuran ligands display a slight preference to bind the closely related human glutathione reductase, they should not be considered as drugs with selective inhibition of trypanothione reductase
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LINKS TO OTHER DATABASES (specific for EC-Number 1.8.1.12)
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