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Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'norton' and Initial = 'sj'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Bos taurus (bovine))
BDBM120262
PNG
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)
Show SMILES CC[N+](C)(C)c1cccc(O)c1
Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
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200n/an/an/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Binding affinity against Acetylcholinesterase of purified calf forebrain (CFB)


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM120262
PNG
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)
Show SMILES CC[N+](C)(C)c1cccc(O)c1
Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
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200n/an/an/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Binding affinity against Acetylcholinesterase of human RBC


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM120262
PNG
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)
Show SMILES CC[N+](C)(C)c1cccc(O)c1
Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
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400n/an/an/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Binding affinity against Acetylcholinesterase of purified Octopus brain (OB)


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM39344
PNG
(4-amino-N-[2-(diethylamino)ethyl]benzamide;hydroch...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
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1.00E+3n/an/an/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Binding affinity against Acetylcholinesterase of purified Octopus brain (OB)


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50059903
PNG
(CHEMBL103873 | Trimethyl-(2-pentylsulfanylcarbonyl...)
Show SMILES CCCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C11H24NO2S/c1-5-6-7-10-15-11(13)14-9-8-12(2,3)4/h5-10H2,1-4H3/q+1
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1.00E+3n/an/an/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Binding affinity against Acetylcholinesterase of purified calf forebrain (CFB)


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM39344
PNG
(4-amino-N-[2-(diethylamino)ethyl]benzamide;hydroch...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
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1.00E+3n/an/an/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Binding affinity against Acetylcholinesterase of human RBC


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM39344
PNG
(4-amino-N-[2-(diethylamino)ethyl]benzamide;hydroch...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
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1.00E+3n/an/an/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Binding affinity against Acetylcholinesterase of purified calf forebrain (CFB)


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059903
PNG
(CHEMBL103873 | Trimethyl-(2-pentylsulfanylcarbonyl...)
Show SMILES CCCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C11H24NO2S/c1-5-6-7-10-15-11(13)14-9-8-12(2,3)4/h5-10H2,1-4H3/q+1
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2.00E+3n/an/an/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
In vitro inhibition of Acetylcholinesterase Activity in octopus brain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059903
PNG
(CHEMBL103873 | Trimethyl-(2-pentylsulfanylcarbonyl...)
Show SMILES CCCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C11H24NO2S/c1-5-6-7-10-15-11(13)14-9-8-12(2,3)4/h5-10H2,1-4H3/q+1
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3.00E+3n/an/an/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Binding affinity against Acetylcholinesterase of purified Octopus brain (OB)


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial


(Rattus norvegicus)
BDBM50026371
PNG
(2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(4-nitro-...)
Show SMILES NC(CCC(=O)NC(CSC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C18H22N4O10S/c19-12(17(27)28)5-6-14(23)21-13(16(26)20-7-15(24)25)9-33-18(29)32-8-10-1-3-11(4-2-10)22(30)31/h1-4,12-13H,5-9,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)
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6.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat liver glyoxalase II


J Med Chem 28: 828-30 (1985)


BindingDB Entry DOI: 10.7270/Q2M32TRS
More data for this
Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial


(Rattus norvegicus)
BDBM50026368
PNG
(2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(3-nitro-...)
Show SMILES NC(CCC(=O)NC(CSC(=O)OCc1cccc(c1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C18H22N4O10S/c19-12(17(27)28)4-5-14(23)21-13(16(26)20-7-15(24)25)9-33-18(29)32-8-10-2-1-3-11(6-10)22(30)31/h1-3,6,12-13H,4-5,7-9,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)
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9.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat liver glyoxalase II


J Med Chem 28: 828-30 (1985)


BindingDB Entry DOI: 10.7270/Q2M32TRS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50059899
PNG
((2-Heptylsulfanylcarbonyloxy-ethyl)-trimethyl-ammo...)
Show SMILES CCCCCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C13H28NO2S/c1-5-6-7-8-9-12-17-13(15)16-11-10-14(2,3)4/h5-12H2,1-4H3/q+1
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1.00E+4n/an/an/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Binding affinity against Acetylcholinesterase of purified calf forebrain (CFB)


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial


(Rattus norvegicus)
BDBM50026370
PNG
(2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(2-nitro-...)
Show SMILES NC(CCC(=O)NC(CSC(=O)OCc1ccccc1[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C18H22N4O10S/c19-11(17(27)28)5-6-14(23)21-12(16(26)20-7-15(24)25)9-33-18(29)32-8-10-3-1-2-4-13(10)22(30)31/h1-4,11-12H,5-9,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)
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1.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat liver glyoxalase II


J Med Chem 28: 828-30 (1985)


BindingDB Entry DOI: 10.7270/Q2M32TRS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059899
PNG
((2-Heptylsulfanylcarbonyloxy-ethyl)-trimethyl-ammo...)
Show SMILES CCCCCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C13H28NO2S/c1-5-6-7-8-9-12-17-13(15)16-11-10-14(2,3)4/h5-12H2,1-4H3/q+1
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2.00E+4n/an/an/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Binding affinity against Acetylcholinesterase of human RBC


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059899
PNG
((2-Heptylsulfanylcarbonyloxy-ethyl)-trimethyl-ammo...)
Show SMILES CCCCCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C13H28NO2S/c1-5-6-7-8-9-12-17-13(15)16-11-10-14(2,3)4/h5-12H2,1-4H3/q+1
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4.00E+4n/an/an/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Binding affinity against Acetylcholinesterase of purified Octopus brain (OB)


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial


(Rattus norvegicus)
BDBM50028202
PNG
((S)-2-Amino-4-[(R)-2-benzyloxycarbonylsulfanyl-1-(...)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)OCc1ccccc1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C18H23N3O8S/c19-12(17(26)27)6-7-14(22)21-13(16(25)20-8-15(23)24)10-30-18(28)29-9-11-4-2-1-3-5-11/h1-5,12-13H,6-10,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1
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6.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory activity of the compound against glyoxalase II in rat liver


J Med Chem 26: 1784-5 (1984)


BindingDB Entry DOI: 10.7270/Q2SJ1JNS
More data for this
Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial


(Rattus norvegicus)
BDBM50026369
PNG
(2-Amino-4-[2-benzyloxycarbonylsulfanyl-1-(carboxym...)
Show SMILES NC(CCC(=O)NC(CSC(=O)OCc1ccccc1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C18H23N3O8S/c19-12(17(26)27)6-7-14(22)21-13(16(25)20-8-15(23)24)10-30-18(28)29-9-11-4-2-1-3-5-11/h1-5,12-13H,6-10,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)
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6.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat liver glyoxalase II


J Med Chem 28: 828-30 (1985)


BindingDB Entry DOI: 10.7270/Q2M32TRS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM120262
PNG
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)
Show SMILES CC[N+](C)(C)c1cccc(O)c1
Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
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n/an/a 50n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity of calf forebrain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM120262
PNG
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)
Show SMILES CC[N+](C)(C)c1cccc(O)c1
Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
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n/an/a 200n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase from human red blood cells


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM39344
PNG
(4-amino-N-[2-(diethylamino)ethyl]benzamide;hydroch...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
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n/an/a 500n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity of calf forebrain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM120262
PNG
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)
Show SMILES CC[N+](C)(C)c1cccc(O)c1
Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
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n/an/a 500n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity from octopus brain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059903
PNG
(CHEMBL103873 | Trimethyl-(2-pentylsulfanylcarbonyl...)
Show SMILES CCCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C11H24NO2S/c1-5-6-7-10-15-11(13)14-9-8-12(2,3)4/h5-10H2,1-4H3/q+1
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n/an/a 800n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase from human red blood cells


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM39344
PNG
(4-amino-N-[2-(diethylamino)ethyl]benzamide;hydroch...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase from human red blood cells


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50059903
PNG
(CHEMBL103873 | Trimethyl-(2-pentylsulfanylcarbonyl...)
Show SMILES CCCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C11H24NO2S/c1-5-6-7-10-15-11(13)14-9-8-12(2,3)4/h5-10H2,1-4H3/q+1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity of calf forebrain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM39344
PNG
(4-amino-N-[2-(diethylamino)ethyl]benzamide;hydroch...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity from octopus brain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50059894
PNG
(CHEMBL103153 | [2-(2-Ethyl-phenylsulfanylcarbonylo...)
Show SMILES CCc1ccccc1SC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C14H22NO2S/c1-5-12-8-6-7-9-13(12)18-14(16)17-11-10-15(2,3)4/h6-9H,5,10-11H2,1-4H3/q+1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity of calf forebrain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50059904
PNG
(CHEMBL103890 | [2-(1,1-Dimethyl-propylsulfanylcarb...)
Show SMILES CCC(C)(C)SC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C11H24NO2S/c1-7-11(2,3)15-10(13)14-9-8-12(4,5)6/h7-9H2,1-6H3/q+1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity of calf forebrain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50059906
PNG
(CHEMBL322628 | Trimethyl-[2-(3-methyl-butylsulfany...)
Show SMILES CC(C)CCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C11H24NO2S/c1-10(2)6-9-15-11(13)14-8-7-12(3,4)5/h10H,6-9H2,1-5H3/q+1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity of calf forebrain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50059899
PNG
((2-Heptylsulfanylcarbonyloxy-ethyl)-trimethyl-ammo...)
Show SMILES CCCCCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C13H28NO2S/c1-5-6-7-8-9-12-17-13(15)16-11-10-14(2,3)4/h5-12H2,1-4H3/q+1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity of calf forebrain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50059905
PNG
((2-Hexylsulfanylcarbonyloxy-ethyl)-trimethyl-ammon...)
Show SMILES CCCCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C12H26NO2S/c1-5-6-7-8-11-16-12(14)15-10-9-13(2,3)4/h5-11H2,1-4H3/q+1
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity of calf forebrain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059904
PNG
(CHEMBL103890 | [2-(1,1-Dimethyl-propylsulfanylcarb...)
Show SMILES CCC(C)(C)SC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C11H24NO2S/c1-7-11(2,3)15-10(13)14-9-8-12(4,5)6/h7-9H2,1-6H3/q+1
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase from human red blood cells


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059894
PNG
(CHEMBL103153 | [2-(2-Ethyl-phenylsulfanylcarbonylo...)
Show SMILES CCc1ccccc1SC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C14H22NO2S/c1-5-12-8-6-7-9-13(12)18-14(16)17-11-10-15(2,3)4/h6-9H,5,10-11H2,1-4H3/q+1
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase from human red blood cells


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059899
PNG
((2-Heptylsulfanylcarbonyloxy-ethyl)-trimethyl-ammo...)
Show SMILES CCCCCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C13H28NO2S/c1-5-6-7-8-9-12-17-13(15)16-11-10-14(2,3)4/h5-12H2,1-4H3/q+1
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase from human red blood cells


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059900
PNG
(CHEMBL103959 | [2-(4-Ethyl-phenylsulfanylcarbonylo...)
Show SMILES CCc1ccc(SC(=O)OCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C14H22NO2S/c1-5-12-6-8-13(9-7-12)18-14(16)17-11-10-15(2,3)4/h6-9H,5,10-11H2,1-4H3/q+1
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity from octopus brain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059906
PNG
(CHEMBL322628 | Trimethyl-[2-(3-methyl-butylsulfany...)
Show SMILES CC(C)CCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C11H24NO2S/c1-10(2)6-9-15-11(13)14-8-7-12(3,4)5/h10H,6-9H2,1-5H3/q+1
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity from octopus brain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059906
PNG
(CHEMBL322628 | Trimethyl-[2-(3-methyl-butylsulfany...)
Show SMILES CC(C)CCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C11H24NO2S/c1-10(2)6-9-15-11(13)14-8-7-12(3,4)5/h10H,6-9H2,1-5H3/q+1
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase from human red blood cells


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059903
PNG
(CHEMBL103873 | Trimethyl-(2-pentylsulfanylcarbonyl...)
Show SMILES CCCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C11H24NO2S/c1-5-6-7-10-15-11(13)14-9-8-12(2,3)4/h5-10H2,1-4H3/q+1
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity from octopus brain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059905
PNG
((2-Hexylsulfanylcarbonyloxy-ethyl)-trimethyl-ammon...)
Show SMILES CCCCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C12H26NO2S/c1-5-6-7-8-11-16-12(14)15-10-9-13(2,3)4/h5-11H2,1-4H3/q+1
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n/an/a 8.00E+4n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase from human red blood cells


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50059900
PNG
(CHEMBL103959 | [2-(4-Ethyl-phenylsulfanylcarbonylo...)
Show SMILES CCc1ccc(SC(=O)OCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C14H22NO2S/c1-5-12-6-8-13(9-7-12)18-14(16)17-11-10-15(2,3)4/h6-9H,5,10-11H2,1-4H3/q+1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity of calf forebrain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059905
PNG
((2-Hexylsulfanylcarbonyloxy-ethyl)-trimethyl-ammon...)
Show SMILES CCCCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C12H26NO2S/c1-5-6-7-8-11-16-12(14)15-10-9-13(2,3)4/h5-11H2,1-4H3/q+1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity from octopus brain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50059895
PNG
(CHEMBL318749 | Trimethyl-(2-phenylsulfanylcarbonyl...)
Show SMILES C[N+](C)(C)CCOC(=O)Sc1ccccc1
Show InChI InChI=1S/C12H18NO2S/c1-13(2,3)9-10-15-12(14)16-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity of calf forebrain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50059902
PNG
((2-Butylsulfanylcarbonyloxy-ethyl)-trimethyl-ammon...)
Show SMILES CCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C10H22NO2S/c1-5-6-9-14-10(12)13-8-7-11(2,3)4/h5-9H2,1-4H3/q+1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity of calf forebrain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059900
PNG
(CHEMBL103959 | [2-(4-Ethyl-phenylsulfanylcarbonylo...)
Show SMILES CCc1ccc(SC(=O)OCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C14H22NO2S/c1-5-12-6-8-13(9-7-12)18-14(16)17-11-10-15(2,3)4/h6-9H,5,10-11H2,1-4H3/q+1
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n/an/a 5.00E+5n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase from human red blood cells


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059902
PNG
((2-Butylsulfanylcarbonyloxy-ethyl)-trimethyl-ammon...)
Show SMILES CCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C10H22NO2S/c1-5-6-9-14-10(12)13-8-7-11(2,3)4/h5-9H2,1-4H3/q+1
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n/an/a 5.00E+5n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase from human red blood cells


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059899
PNG
((2-Heptylsulfanylcarbonyloxy-ethyl)-trimethyl-ammo...)
Show SMILES CCCCCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C13H28NO2S/c1-5-6-7-8-9-12-17-13(15)16-11-10-14(2,3)4/h5-12H2,1-4H3/q+1
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n/an/a 5.00E+5n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity from octopus brain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50059896
PNG
(CHEMBL101482 | Trimethyl-[2-(2-methyl-butylsulfany...)
Show SMILES CCC(C)CSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C11H24NO2S/c1-6-10(2)9-15-11(13)14-8-7-12(3,4)5/h10H,6-9H2,1-5H3/q+1
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n/an/a 8.00E+5n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity of calf forebrain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059896
PNG
(CHEMBL101482 | Trimethyl-[2-(2-methyl-butylsulfany...)
Show SMILES CCC(C)CSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C11H24NO2S/c1-6-10(2)9-15-11(13)14-8-7-12(3,4)5/h10H,6-9H2,1-5H3/q+1
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase from human red blood cells


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059902
PNG
((2-Butylsulfanylcarbonyloxy-ethyl)-trimethyl-ammon...)
Show SMILES CCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C10H22NO2S/c1-5-6-9-14-10(12)13-8-7-11(2,3)4/h5-9H2,1-4H3/q+1
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity from octopus brain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059895
PNG
(CHEMBL318749 | Trimethyl-(2-phenylsulfanylcarbonyl...)
Show SMILES C[N+](C)(C)CCOC(=O)Sc1ccccc1
Show InChI InChI=1S/C12H18NO2S/c1-13(2,3)9-10-15-12(14)16-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase from human red blood cells


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059897
PNG
(CHEMBL104891 | Trimethyl-(2-propylsulfanylcarbonyl...)
Show SMILES CCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C9H20NO2S/c1-5-8-13-9(11)12-7-6-10(2,3)4/h5-8H2,1-4H3/q+1
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of North Texas

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity from octopus brain


J Med Chem 40: 3009-13 (1997)


Article DOI: 10.1021/jm970141k
BindingDB Entry DOI: 10.7270/Q2MP52D6
More data for this
Ligand-Target Pair
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