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PubMed code 25706320

Compile data set for download or QSAR
Found 86 hits of Enzyme Inhibition Constant Data   
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


(Electrophorus electricus (Electric eel))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 2.41E+3n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152478
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=S)Nc4ccc(Cl)cc4)n3)c(=O)oc12
Show InChI InChI=1S/C20H14ClN3O3S2/c1-26-16-4-2-3-11-9-14(18(25)27-17(11)16)15-10-29-20(23-15)24-19(28)22-13-7-5-12(21)6-8-13/h2-10H,1H3,(H2,22,23,24,28)
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n/an/a 4.58E+3n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152467
PNG
(1-(4-Fluorophenyl)-3-(4-(6-nitro-2-oxo-2H-chromen-...)
Show SMILES [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)-c1csc(NC(=O)Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C19H11FN4O5S/c20-11-1-3-12(4-2-11)21-18(26)23-19-22-15(9-30-19)14-8-10-7-13(24(27)28)5-6-16(10)29-17(14)25/h1-9H,(H2,21,22,23,26)
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n/an/a 4.93E+3n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152472
PNG
(1-(4-Chlorophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thi...)
Show SMILES Clc1ccc(NC(=S)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C19H12ClN3O2S2/c20-12-5-7-13(8-6-12)21-18(26)23-19-22-15(10-27-19)14-9-11-3-1-2-4-16(11)25-17(14)24/h1-10H,(H2,21,22,23,26)
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n/an/a 7.63E+3n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152478
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=S)Nc4ccc(Cl)cc4)n3)c(=O)oc12
Show InChI InChI=1S/C20H14ClN3O3S2/c1-26-16-4-2-3-11-9-14(18(25)27-17(11)16)15-10-29-20(23-15)24-19(28)22-13-7-5-12(21)6-8-13/h2-10H,1H3,(H2,22,23,24,28)
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n/an/a 1.21E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152471
PNG
(1-(3-Fluorophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thi...)
Show SMILES Fc1cccc(NC(=S)Nc2nc(cs2)-c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C19H12FN3O2S2/c20-12-5-3-6-13(9-12)21-18(26)23-19-22-15(10-27-19)14-8-11-4-1-2-7-16(11)25-17(14)24/h1-10H,(H2,21,22,23,26)
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n/an/a 1.64E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 1.74E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152476
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=S)Nc4cccc(F)c4)n3)c(=O)oc12
Show InChI InChI=1S/C20H14FN3O3S2/c1-26-16-7-2-4-11-8-14(18(25)27-17(11)16)15-10-29-20(23-15)24-19(28)22-13-6-3-5-12(21)9-13/h2-10H,1H3,(H2,22,23,24,28)
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n/an/a 1.80E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152476
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=S)Nc4cccc(F)c4)n3)c(=O)oc12
Show InChI InChI=1S/C20H14FN3O3S2/c1-26-16-7-2-4-11-8-14(18(25)27-17(11)16)15-10-29-20(23-15)24-19(28)22-13-6-3-5-12(21)9-13/h2-10H,1H3,(H2,22,23,24,28)
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n/an/a 1.84E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152471
PNG
(1-(3-Fluorophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thi...)
Show SMILES Fc1cccc(NC(=S)Nc2nc(cs2)-c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C19H12FN3O2S2/c20-12-5-3-6-13(9-12)21-18(26)23-19-22-15(10-27-19)14-8-11-4-1-2-7-16(11)25-17(14)24/h1-10H,(H2,21,22,23,26)
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n/an/a 2.08E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152475
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=S)Nc4ccccc4)n3)c(=O)oc12
Show InChI InChI=1S/C20H15N3O3S2/c1-25-16-9-5-6-12-10-14(18(24)26-17(12)16)15-11-28-20(22-15)23-19(27)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,21,22,23,27)
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n/an/a 2.18E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152477
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=S)Nc4ccc(F)cc4)n3)c(=O)oc12
Show InChI InChI=1S/C20H14FN3O3S2/c1-26-16-4-2-3-11-9-14(18(25)27-17(11)16)15-10-29-20(23-15)24-19(28)22-13-7-5-12(21)6-8-13/h2-10H,1H3,(H2,22,23,24,28)
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n/an/a 2.33E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152472
PNG
(1-(4-Chlorophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thi...)
Show SMILES Clc1ccc(NC(=S)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C19H12ClN3O2S2/c20-12-5-7-13(8-6-12)21-18(26)23-19-22-15(10-27-19)14-9-11-3-1-2-4-16(11)25-17(14)24/h1-10H,(H2,21,22,23,26)
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n/an/a 2.43E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152470
PNG
(1-(4-Iodophenyl)-3-(4-(6-nitro-2-oxo-2H-chromen-3-...)
Show SMILES [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)-c1csc(NC(=O)Nc2ccc(I)cc2)n1
Show InChI InChI=1S/C19H11IN4O5S/c20-11-1-3-12(4-2-11)21-18(26)23-19-22-15(9-30-19)14-8-10-7-13(24(27)28)5-6-16(10)29-17(14)25/h1-9H,(H2,21,22,23,26)
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n/an/a 2.67E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152437
PNG
(1-(2-Methoxyphenyl)-3-(4-(2-oxo-2H-chromen-3-yl)th...)
Show SMILES COc1ccccc1NC(=O)Nc1nc(cs1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C20H15N3O4S/c1-26-17-9-5-3-7-14(17)21-19(25)23-20-22-15(11-28-20)13-10-12-6-2-4-8-16(12)27-18(13)24/h2-11H,1H3,(H2,21,22,23,25)
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n/an/a 3.03E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152473
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1ccc(NC(=S)Nc2nc(cs2)-c2cc3cccc(OC)c3oc2=O)cc1
Show InChI InChI=1S/C21H17N3O4S2/c1-26-14-8-6-13(7-9-14)22-20(29)24-21-23-16(11-30-21)15-10-12-4-3-5-17(27-2)18(12)28-19(15)25/h3-11H,1-2H3,(H2,22,23,24,29)
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n/an/a 3.12E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152443
PNG
(1-(2-Flurophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thia...)
Show SMILES Fc1ccccc1NC(=O)Nc1nc(cs1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C19H12FN3O3S/c20-13-6-2-3-7-14(13)21-18(25)23-19-22-15(10-27-19)12-9-11-5-1-4-8-16(11)26-17(12)24/h1-10H,(H2,21,22,23,25)
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n/an/a 3.15E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152443
PNG
(1-(2-Flurophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thia...)
Show SMILES Fc1ccccc1NC(=O)Nc1nc(cs1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C19H12FN3O3S/c20-13-6-2-3-7-14(13)21-18(25)23-19-22-15(10-27-19)12-9-11-5-1-4-8-16(11)26-17(12)24/h1-10H,(H2,21,22,23,25)
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n/an/a 3.45E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152474
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=S)Nc4ccc(C)cc4)n3)c(=O)oc12
Show InChI InChI=1S/C21H17N3O3S2/c1-12-6-8-14(9-7-12)22-20(28)24-21-23-16(11-29-21)15-10-13-4-3-5-17(26-2)18(13)27-19(15)25/h3-11H,1-2H3,(H2,22,23,24,28)
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n/an/a 3.65E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152437
PNG
(1-(2-Methoxyphenyl)-3-(4-(2-oxo-2H-chromen-3-yl)th...)
Show SMILES COc1ccccc1NC(=O)Nc1nc(cs1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C20H15N3O4S/c1-26-17-9-5-3-7-14(17)21-19(25)23-20-22-15(11-28-20)13-10-12-6-2-4-8-16(12)27-18(13)24/h2-11H,1H3,(H2,21,22,23,25)
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n/an/a 3.80E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152447
PNG
(1-(4-Chlorophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thi...)
Show SMILES Clc1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C19H12ClN3O3S/c20-12-5-7-13(8-6-12)21-18(25)23-19-22-15(10-27-19)14-9-11-3-1-2-4-16(11)26-17(14)24/h1-10H,(H2,21,22,23,25)
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n/an/a 3.81E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152463
PNG
(1-(3-Methoxyphenyl)-3-(4-(6-nitro-2-oxo-2H-chromen...)
Show SMILES COc1cccc(NC(=O)Nc2nc(cs2)-c2cc3cc(ccc3oc2=O)[N+]([O-])=O)c1
Show InChI InChI=1S/C20H14N4O6S/c1-29-14-4-2-3-12(9-14)21-19(26)23-20-22-16(10-31-20)15-8-11-7-13(24(27)28)5-6-17(11)30-18(15)25/h2-10H,1H3,(H2,21,22,23,26)
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n/an/a 3.87E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152473
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1ccc(NC(=S)Nc2nc(cs2)-c2cc3cccc(OC)c3oc2=O)cc1
Show InChI InChI=1S/C21H17N3O4S2/c1-26-14-8-6-13(7-9-14)22-20(29)24-21-23-16(11-30-21)15-10-12-4-3-5-17(27-2)18(12)28-19(15)25/h3-11H,1-2H3,(H2,22,23,24,29)
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n/an/a 4.12E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152475
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=S)Nc4ccccc4)n3)c(=O)oc12
Show InChI InChI=1S/C20H15N3O3S2/c1-25-16-9-5-6-12-10-14(18(24)26-17(12)16)15-11-28-20(22-15)23-19(27)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,21,22,23,27)
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n/an/a 4.61E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152477
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=S)Nc4ccc(F)cc4)n3)c(=O)oc12
Show InChI InChI=1S/C20H14FN3O3S2/c1-26-16-4-2-3-11-9-14(18(25)27-17(11)16)15-10-29-20(23-15)24-19(28)22-13-7-5-12(21)6-8-13/h2-10H,1H3,(H2,22,23,24,28)
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n/an/a 4.61E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152469
PNG
(1-(4-Bromophenyl)-3-(4-(6-nitro-2-oxo-2H-chromen-3...)
Show SMILES [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)-c1csc(NC(=O)Nc2ccc(Br)cc2)n1
Show InChI InChI=1S/C19H11BrN4O5S/c20-11-1-3-12(4-2-11)21-18(26)23-19-22-15(9-30-19)14-8-10-7-13(24(27)28)5-6-16(10)29-17(14)25/h1-9H,(H2,21,22,23,26)
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n/an/a 4.62E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152455
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(cc4)[N+]([O-])=O)n3)c(=O)oc12
Show InChI InChI=1S/C20H14N4O6S/c1-29-16-4-2-3-11-9-14(18(25)30-17(11)16)15-10-31-20(22-15)23-19(26)21-12-5-7-13(8-6-12)24(27)28/h2-10H,1H3,(H2,21,22,23,26)
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n/an/a 4.65E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152474
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=S)Nc4ccc(C)cc4)n3)c(=O)oc12
Show InChI InChI=1S/C21H17N3O3S2/c1-12-6-8-14(9-7-12)22-20(28)24-21-23-16(11-29-21)15-10-13-4-3-5-17(26-2)18(13)27-19(15)25/h3-11H,1-2H3,(H2,22,23,24,28)
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n/an/a 5.19E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152442
PNG
(1-(4-Nitrophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thia...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C19H12N4O5S/c24-17-14(9-11-3-1-2-4-16(11)28-17)15-10-29-19(21-15)22-18(25)20-12-5-7-13(8-6-12)23(26)27/h1-10H,(H2,20,21,22,25)
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n/an/a 5.27E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152438
PNG
(1-(3-Methoxyphenyl)-3-(4-(2-oxo-2H-chromen-3-yl)th...)
Show SMILES COc1cccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C20H15N3O4S/c1-26-14-7-4-6-13(10-14)21-19(25)23-20-22-16(11-28-20)15-9-12-5-2-3-8-17(12)27-18(15)24/h2-11H,1H3,(H2,21,22,23,25)
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n/an/a 5.28E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152440
PNG
(1-(p-tolyl)-3-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-...)
Show SMILES Cc1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C20H15N3O3S/c1-12-6-8-14(9-7-12)21-19(25)23-20-22-16(11-27-20)15-10-13-4-2-3-5-17(13)26-18(15)24/h2-11H,1H3,(H2,21,22,23,25)
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n/an/a 5.48E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152450
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc(NC(=O)Nc2nc(cs2)-c2cc3cccc(OC)c3oc2=O)c1
Show InChI InChI=1S/C21H17N3O5S/c1-27-14-7-4-6-13(10-14)22-20(26)24-21-23-16(11-30-21)15-9-12-5-3-8-17(28-2)18(12)29-19(15)25/h3-11H,1-2H3,(H2,22,23,24,26)
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n/an/a 5.65E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152444
PNG
(1-(3-Fluorophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thi...)
Show SMILES Fc1cccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C19H12FN3O3S/c20-12-5-3-6-13(9-12)21-18(25)23-19-22-15(10-27-19)14-8-11-4-1-2-7-16(11)26-17(14)24/h1-10H,(H2,21,22,23,25)
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n/an/a 5.81E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152462
PNG
(1-(4-Iodophenyl)-3-(4-(8-methoxy-2-oxo-2H-chromen-...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(I)cc4)n3)c(=O)oc12
Show InChI InChI=1S/C20H14IN3O4S/c1-27-16-4-2-3-11-9-14(18(25)28-17(11)16)15-10-29-20(23-15)24-19(26)22-13-7-5-12(21)6-8-13/h2-10H,1H3,(H2,22,23,24,26)
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n/an/a 6.13E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152444
PNG
(1-(3-Fluorophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thi...)
Show SMILES Fc1cccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C19H12FN3O3S/c20-12-5-3-6-13(9-12)21-18(25)23-19-22-15(10-27-19)14-8-11-4-1-2-7-16(11)26-17(14)24/h1-10H,(H2,21,22,23,25)
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n/an/a 6.22E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152459
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4cccc(Cl)c4)n3)c(=O)oc12
Show InChI InChI=1S/C20H14ClN3O4S/c1-27-16-7-2-4-11-8-14(18(25)28-17(11)16)15-10-29-20(23-15)24-19(26)22-13-6-3-5-12(21)9-13/h2-10H,1H3,(H2,22,23,24,26)
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n/an/a 6.29E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152458
PNG
(1-(4-Fluorophenyl)-3-(4-(8-methoxy-2-oxo-2H-chrome...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(F)cc4)n3)c(=O)oc12
Show InChI InChI=1S/C20H14FN3O4S/c1-27-16-4-2-3-11-9-14(18(25)28-17(11)16)15-10-29-20(23-15)24-19(26)22-13-7-5-12(21)6-8-13/h2-10H,1H3,(H2,22,23,24,26)
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n/an/a 6.33E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152456
PNG
(1-(2-Fluorophenyl)-3-(4-(8-methoxy-2-oxo-2H-chrome...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4ccccc4F)n3)c(=O)oc12
Show InChI InChI=1S/C20H14FN3O4S/c1-27-16-8-4-5-11-9-12(18(25)28-17(11)16)15-10-29-20(23-15)24-19(26)22-14-7-3-2-6-13(14)21/h2-10H,1H3,(H2,22,23,24,26)
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n/an/a 6.62E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152446
PNG
(1-(3-Chlorophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thi...)
Show SMILES Clc1cccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C19H12ClN3O3S/c20-12-5-3-6-13(9-12)21-18(25)23-19-22-15(10-27-19)14-8-11-4-1-2-7-16(11)26-17(14)24/h1-10H,(H2,21,22,23,25)
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n/an/a 6.66E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152457
PNG
(1-(3-Fluorophenyl)-3-(4-(8-methoxy-2-oxo-2H-chrome...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4cccc(F)c4)n3)c(=O)oc12
Show InChI InChI=1S/C20H14FN3O4S/c1-27-16-7-2-4-11-8-14(18(25)28-17(11)16)15-10-29-20(23-15)24-19(26)22-13-6-3-5-12(21)9-13/h2-10H,1H3,(H2,22,23,24,26)
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n/an/a 6.70E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152461
PNG
(1-(4-Bromophenyl)-3-(4-(8-methoxy-2-oxo-2H-chromen...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(Br)cc4)n3)c(=O)oc12
Show InChI InChI=1S/C20H14BrN3O4S/c1-27-16-4-2-3-11-9-14(18(25)28-17(11)16)15-10-29-20(23-15)24-19(26)22-13-7-5-12(21)6-8-13/h2-10H,1H3,(H2,22,23,24,26)
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n/an/a 6.91E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152460
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(Cl)cc4)n3)c(=O)oc12
Show InChI InChI=1S/C20H14ClN3O4S/c1-27-16-4-2-3-11-9-14(18(25)28-17(11)16)15-10-29-20(23-15)24-19(26)22-13-7-5-12(21)6-8-13/h2-10H,1H3,(H2,22,23,24,26)
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n/an/a 7.06E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152441
PNG
(1-Phenyl-3-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)...)
Show SMILES O=C(Nc1nc(cs1)-c1cc2ccccc2oc1=O)Nc1ccccc1
Show InChI InChI=1S/C19H13N3O3S/c23-17-14(10-12-6-4-5-9-16(12)25-17)15-11-26-19(21-15)22-18(24)20-13-7-2-1-3-8-13/h1-11H,(H2,20,21,22,24)
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n/an/a 7.32E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152441
PNG
(1-Phenyl-3-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)...)
Show SMILES O=C(Nc1nc(cs1)-c1cc2ccccc2oc1=O)Nc1ccccc1
Show InChI InChI=1S/C19H13N3O3S/c23-17-14(10-12-6-4-5-9-16(12)25-17)15-11-26-19(21-15)22-18(24)20-13-7-2-1-3-8-13/h1-11H,(H2,20,21,22,24)
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n/an/a 7.47E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152442
PNG
(1-(4-Nitrophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thia...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C19H12N4O5S/c24-17-14(9-11-3-1-2-4-16(11)28-17)15-10-29-19(21-15)22-18(25)20-12-5-7-13(8-6-12)23(26)27/h1-10H,(H2,20,21,22,25)
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n/an/a 7.48E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152438
PNG
(1-(3-Methoxyphenyl)-3-(4-(2-oxo-2H-chromen-3-yl)th...)
Show SMILES COc1cccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C20H15N3O4S/c1-26-14-7-4-6-13(10-14)21-19(25)23-20-22-16(11-28-20)15-9-12-5-2-3-8-17(12)27-18(15)24/h2-11H,1H3,(H2,21,22,23,25)
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n/an/a 7.50E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152453
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4ccccc4)n3)c(=O)oc12
Show InChI InChI=1S/C20H15N3O4S/c1-26-16-9-5-6-12-10-14(18(24)27-17(12)16)15-11-28-20(22-15)23-19(25)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,21,22,23,25)
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n/an/a 7.75E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152463
PNG
(1-(3-Methoxyphenyl)-3-(4-(6-nitro-2-oxo-2H-chromen...)
Show SMILES COc1cccc(NC(=O)Nc2nc(cs2)-c2cc3cc(ccc3oc2=O)[N+]([O-])=O)c1
Show InChI InChI=1S/C20H14N4O6S/c1-29-14-4-2-3-12(9-14)21-19(26)23-20-22-16(10-31-20)15-8-11-7-13(24(27)28)5-6-17(11)30-18(15)25/h2-10H,1H3,(H2,21,22,23,26)
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n/an/a 7.75E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152468
PNG
(1-(4-Chlorophenyl)-3-(4-(6-nitro-2-oxo-2H-chromen-...)
Show SMILES [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)-c1csc(NC(=O)Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C19H11ClN4O5S/c20-11-1-3-12(4-2-11)21-18(26)23-19-22-15(9-30-19)14-8-10-7-13(24(27)28)5-6-16(10)29-17(14)25/h1-9H,(H2,21,22,23,26)
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n/an/a 7.83E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152454
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4cccc(c4)[N+]([O-])=O)n3)c(=O)oc12
Show InChI InChI=1S/C20H14N4O6S/c1-29-16-7-2-4-11-8-14(18(25)30-17(11)16)15-10-31-20(22-15)23-19(26)21-12-5-3-6-13(9-12)24(27)28/h2-10H,1H3,(H2,21,22,23,26)
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n/an/a 7.84E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152456
PNG
(1-(2-Fluorophenyl)-3-(4-(8-methoxy-2-oxo-2H-chrome...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4ccccc4F)n3)c(=O)oc12
Show InChI InChI=1S/C20H14FN3O4S/c1-27-16-8-4-5-11-9-12(18(25)28-17(11)16)15-10-29-20(23-15)24-19(26)22-14-7-3-2-6-13(14)21/h2-10H,1H3,(H2,22,23,24,26)
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n/an/a 7.96E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152440
PNG
(1-(p-tolyl)-3-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-...)
Show SMILES Cc1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C20H15N3O3S/c1-12-6-8-14(9-7-12)21-19(25)23-20-22-16(11-27-20)15-10-13-4-2-3-5-17(13)26-18(15)24/h2-11H,1H3,(H2,21,22,23,25)
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n/an/a 8.15E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152452
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(C)cc4)n3)c(=O)oc12
Show InChI InChI=1S/C21H17N3O4S/c1-12-6-8-14(9-7-12)22-20(26)24-21-23-16(11-29-21)15-10-13-4-3-5-17(27-2)18(13)28-19(15)25/h3-11H,1-2H3,(H2,22,23,24,26)
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n/an/a 8.21E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152439
PNG
(1-(4-Methoxyphenyl)-3-(4-(2-oxo-2H-chromen-3-yl)th...)
Show SMILES COc1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C20H15N3O4S/c1-26-14-8-6-13(7-9-14)21-19(25)23-20-22-16(11-28-20)15-10-12-4-2-3-5-17(12)27-18(15)24/h2-11H,1H3,(H2,21,22,23,25)
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n/an/a 8.26E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152455
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(cc4)[N+]([O-])=O)n3)c(=O)oc12
Show InChI InChI=1S/C20H14N4O6S/c1-29-16-4-2-3-11-9-14(18(25)30-17(11)16)15-10-31-20(22-15)23-19(26)21-12-5-7-13(8-6-12)24(27)28/h2-10H,1H3,(H2,21,22,23,26)
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n/an/a 8.37E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152450
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc(NC(=O)Nc2nc(cs2)-c2cc3cccc(OC)c3oc2=O)c1
Show InChI InChI=1S/C21H17N3O5S/c1-27-14-7-4-6-13(10-14)22-20(26)24-21-23-16(11-30-21)15-9-12-5-3-8-17(28-2)18(12)29-19(15)25/h3-11H,1-2H3,(H2,22,23,24,26)
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n/an/a 8.38E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152453
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4ccccc4)n3)c(=O)oc12
Show InChI InChI=1S/C20H15N3O4S/c1-26-16-9-5-6-12-10-14(18(24)27-17(12)16)15-11-28-20(22-15)23-19(25)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,21,22,23,25)
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n/an/a 8.41E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152466
PNG
(1-(4-(6-Nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-...)
Show SMILES [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)-c1csc(NC(=O)Nc2ccccc2)n1
Show InChI InChI=1S/C19H12N4O5S/c24-17-14(9-11-8-13(23(26)27)6-7-16(11)28-17)15-10-29-19(21-15)22-18(25)20-12-4-2-1-3-5-12/h1-10H,(H2,20,21,22,25)
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n/an/a 8.45E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152445
PNG
(1-(4-Fluorophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thi...)
Show SMILES Fc1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C19H12FN3O3S/c20-12-5-7-13(8-6-12)21-18(25)23-19-22-15(10-27-19)14-9-11-3-1-2-4-16(11)26-17(14)24/h1-10H,(H2,21,22,23,25)
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n/an/a 8.49E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152447
PNG
(1-(4-Chlorophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thi...)
Show SMILES Clc1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C19H12ClN3O3S/c20-12-5-7-13(8-6-12)21-18(25)23-19-22-15(10-27-19)14-9-11-3-1-2-4-16(11)26-17(14)24/h1-10H,(H2,21,22,23,25)
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n/an/a 8.84E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152454
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4cccc(c4)[N+]([O-])=O)n3)c(=O)oc12
Show InChI InChI=1S/C20H14N4O6S/c1-29-16-7-2-4-11-8-14(18(25)30-17(11)16)15-10-31-20(22-15)23-19(26)21-12-5-3-6-13(9-12)24(27)28/h2-10H,1H3,(H2,21,22,23,26)
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n/an/a 9.00E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152449
PNG
(1-(4-Iodophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thiaz...)
Show SMILES Ic1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C19H12IN3O3S/c20-12-5-7-13(8-6-12)21-18(25)23-19-22-15(10-27-19)14-9-11-3-1-2-4-16(11)26-17(14)24/h1-10H,(H2,21,22,23,25)
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n/an/a 9.12E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152469
PNG
(1-(4-Bromophenyl)-3-(4-(6-nitro-2-oxo-2H-chromen-3...)
Show SMILES [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)-c1csc(NC(=O)Nc2ccc(Br)cc2)n1
Show InChI InChI=1S/C19H11BrN4O5S/c20-11-1-3-12(4-2-11)21-18(26)23-19-22-15(9-30-19)14-8-10-7-13(24(27)28)5-6-16(10)29-17(14)25/h1-9H,(H2,21,22,23,26)
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n/an/a 9.25E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152465
PNG
(1-(4-(6-Nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-...)
Show SMILES Cc1ccc(NC(=O)Nc2nc(cs2)-c2cc3cc(ccc3oc2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H14N4O5S/c1-11-2-4-13(5-3-11)21-19(26)23-20-22-16(10-30-20)15-9-12-8-14(24(27)28)6-7-17(12)29-18(15)25/h2-10H,1H3,(H2,21,22,23,26)
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n/an/a 9.39E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152448
PNG
(1-(4-Bromophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thia...)
Show SMILES Brc1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C19H12BrN3O3S/c20-12-5-7-13(8-6-12)21-18(25)23-19-22-15(10-27-19)14-9-11-3-1-2-4-16(11)26-17(14)24/h1-10H,(H2,21,22,23,25)
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n/an/a 9.54E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152452
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(C)cc4)n3)c(=O)oc12
Show InChI InChI=1S/C21H17N3O4S/c1-12-6-8-14(9-7-12)22-20(26)24-21-23-16(11-29-21)15-10-13-4-3-5-17(27-2)18(13)28-19(15)25/h3-11H,1-2H3,(H2,22,23,24,26)
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n/an/a 9.56E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152439
PNG
(1-(4-Methoxyphenyl)-3-(4-(2-oxo-2H-chromen-3-yl)th...)
Show SMILES COc1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C20H15N3O4S/c1-26-14-8-6-13(7-9-14)21-19(25)23-20-22-16(11-28-20)15-10-12-4-2-3-5-17(12)27-18(15)24/h2-11H,1H3,(H2,21,22,23,25)
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n/an/a 9.59E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152470
PNG
(1-(4-Iodophenyl)-3-(4-(6-nitro-2-oxo-2H-chromen-3-...)
Show SMILES [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)-c1csc(NC(=O)Nc2ccc(I)cc2)n1
Show InChI InChI=1S/C19H11IN4O5S/c20-11-1-3-12(4-2-11)21-18(26)23-19-22-15(9-30-19)14-8-10-7-13(24(27)28)5-6-16(10)29-17(14)25/h1-9H,(H2,21,22,23,26)
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n/an/a 9.75E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152451
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1ccc(NC(=O)Nc2nc(cs2)-c2cc3cccc(OC)c3oc2=O)cc1
Show InChI InChI=1S/C21H17N3O5S/c1-27-14-8-6-13(7-9-14)22-20(26)24-21-23-16(11-30-21)15-10-12-4-3-5-17(28-2)18(12)29-19(15)25/h3-11H,1-2H3,(H2,22,23,24,26)
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n/an/a 9.96E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152445
PNG
(1-(4-Fluorophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thi...)
Show SMILES Fc1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C19H12FN3O3S/c20-12-5-7-13(8-6-12)21-18(25)23-19-22-15(10-27-19)14-9-11-3-1-2-4-16(11)26-17(14)24/h1-10H,(H2,21,22,23,25)
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n/an/a 1.01E+5n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152466
PNG
(1-(4-(6-Nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-...)
Show SMILES [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)-c1csc(NC(=O)Nc2ccccc2)n1
Show InChI InChI=1S/C19H12N4O5S/c24-17-14(9-11-8-13(23(26)27)6-7-16(11)28-17)15-10-29-19(21-15)22-18(25)20-12-4-2-1-3-5-12/h1-10H,(H2,20,21,22,25)
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n/an/a 1.03E+5n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152459
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4cccc(Cl)c4)n3)c(=O)oc12
Show InChI InChI=1S/C20H14ClN3O4S/c1-27-16-7-2-4-11-8-14(18(25)28-17(11)16)15-10-29-20(23-15)24-19(26)22-13-6-3-5-12(21)9-13/h2-10H,1H3,(H2,22,23,24,26)
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n/an/a 1.05E+5n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152460
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(Cl)cc4)n3)c(=O)oc12
Show InChI InChI=1S/C20H14ClN3O4S/c1-27-16-4-2-3-11-9-14(18(25)28-17(11)16)15-10-29-20(23-15)24-19(26)22-13-7-5-12(21)6-8-13/h2-10H,1H3,(H2,22,23,24,26)
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n/an/a 1.07E+5n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152457
PNG
(1-(3-Fluorophenyl)-3-(4-(8-methoxy-2-oxo-2H-chrome...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4cccc(F)c4)n3)c(=O)oc12
Show InChI InChI=1S/C20H14FN3O4S/c1-27-16-7-2-4-11-8-14(18(25)28-17(11)16)15-10-29-20(23-15)24-19(26)22-13-6-3-5-12(21)9-13/h2-10H,1H3,(H2,22,23,24,26)
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n/an/a 1.10E+5n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152446
PNG
(1-(3-Chlorophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thi...)
Show SMILES Clc1cccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C19H12ClN3O3S/c20-12-5-3-6-13(9-12)21-18(25)23-19-22-15(10-27-19)14-8-11-4-1-2-7-16(11)26-17(14)24/h1-10H,(H2,21,22,23,25)
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n/an/a 1.11E+5n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152449
PNG
(1-(4-Iodophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thiaz...)
Show SMILES Ic1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C19H12IN3O3S/c20-12-5-7-13(8-6-12)21-18(25)23-19-22-15(10-27-19)14-9-11-3-1-2-4-16(11)26-17(14)24/h1-10H,(H2,21,22,23,25)
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n/an/a 1.12E+5n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152458
PNG
(1-(4-Fluorophenyl)-3-(4-(8-methoxy-2-oxo-2H-chrome...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(F)cc4)n3)c(=O)oc12
Show InChI InChI=1S/C20H14FN3O4S/c1-27-16-4-2-3-11-9-14(18(25)28-17(11)16)15-10-29-20(23-15)24-19(26)22-13-7-5-12(21)6-8-13/h2-10H,1H3,(H2,22,23,24,26)
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n/an/a 1.15E+5n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152461
PNG
(1-(4-Bromophenyl)-3-(4-(8-methoxy-2-oxo-2H-chromen...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(Br)cc4)n3)c(=O)oc12
Show InChI InChI=1S/C20H14BrN3O4S/c1-27-16-4-2-3-11-9-14(18(25)28-17(11)16)15-10-29-20(23-15)24-19(26)22-13-7-5-12(21)6-8-13/h2-10H,1H3,(H2,22,23,24,26)
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n/an/a 1.17E+5n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152464
PNG
(1-(4-Methoxyphenyl)-3-(4-(6-nitro-2-oxo-2H-chromen...)
Show SMILES COc1ccc(NC(=O)Nc2nc(cs2)-c2cc3cc(ccc3oc2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H14N4O6S/c1-29-14-5-2-12(3-6-14)21-19(26)23-20-22-16(10-31-20)15-9-11-8-13(24(27)28)4-7-17(11)30-18(15)25/h2-10H,1H3,(H2,21,22,23,26)
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n/an/a 1.19E+5n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152451
PNG
(1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...)
Show SMILES COc1ccc(NC(=O)Nc2nc(cs2)-c2cc3cccc(OC)c3oc2=O)cc1
Show InChI InChI=1S/C21H17N3O5S/c1-27-14-8-6-13(7-9-14)22-20(26)24-21-23-16(11-30-21)15-10-12-4-3-5-17(28-2)18(12)29-19(15)25/h3-11H,1-2H3,(H2,22,23,24,26)
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n/an/a 1.19E+5n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152448
PNG
(1-(4-Bromophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thia...)
Show SMILES Brc1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C19H12BrN3O3S/c20-12-5-7-13(8-6-12)21-18(25)23-19-22-15(10-27-19)14-9-11-3-1-2-4-16(11)26-17(14)24/h1-10H,(H2,21,22,23,25)
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n/an/a 1.21E+5n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152468
PNG
(1-(4-Chlorophenyl)-3-(4-(6-nitro-2-oxo-2H-chromen-...)
Show SMILES [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)-c1csc(NC(=O)Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C19H11ClN4O5S/c20-11-1-3-12(4-2-11)21-18(26)23-19-22-15(9-30-19)14-8-10-7-13(24(27)28)5-6-16(10)29-17(14)25/h1-9H,(H2,21,22,23,26)
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n/an/a 1.29E+5n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152467
PNG
(1-(4-Fluorophenyl)-3-(4-(6-nitro-2-oxo-2H-chromen-...)
Show SMILES [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)-c1csc(NC(=O)Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C19H11FN4O5S/c20-11-1-3-12(4-2-11)21-18(26)23-19-22-15(9-30-19)14-8-10-7-13(24(27)28)5-6-16(10)29-17(14)25/h1-9H,(H2,21,22,23,26)
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n/an/a 1.35E+5n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152462
PNG
(1-(4-Iodophenyl)-3-(4-(8-methoxy-2-oxo-2H-chromen-...)
Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(I)cc4)n3)c(=O)oc12
Show InChI InChI=1S/C20H14IN3O4S/c1-27-16-4-2-3-11-9-14(18(25)28-17(11)16)15-10-29-20(23-15)24-19(26)22-13-7-5-12(21)6-8-13/h2-10H,1H3,(H2,22,23,24,26)
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n/an/a 1.59E+5n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM152465
PNG
(1-(4-(6-Nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-...)
Show SMILES Cc1ccc(NC(=O)Nc2nc(cs2)-c2cc3cc(ccc3oc2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H14N4O5S/c1-11-2-4-13(5-3-11)21-19(26)23-20-22-16(10-30-20)15-9-12-8-14(24(27)28)6-7-17(12)29-18(15)25/h2-10H,1H3,(H2,21,22,23,26)
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n/an/a 1.95E+5n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152464
PNG
(1-(4-Methoxyphenyl)-3-(4-(6-nitro-2-oxo-2H-chromen...)
Show SMILES COc1ccc(NC(=O)Nc2nc(cs2)-c2cc3cc(ccc3oc2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H14N4O6S/c1-29-14-5-2-12(3-6-14)21-19(26)23-20-22-16(10-31-20)15-9-11-8-13(24(27)28)4-7-17(11)30-18(15)25/h2-10H,1H3,(H2,21,22,23,26)
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n/an/a>2.00E+5n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%