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PubMed code 25462625

Compile data set for download or QSAR
Found 58 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
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150745
PNG
(5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl d...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl3NO5P/c1-3-24-27(23,25-4-2)26-16-9-11(18)5-7-13(16)17(22)21-12-6-8-14(19)15(20)10-12/h5-10H,3-4H2,1-2H3,(H,21,22)
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PubMed
n/an/a 903n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150740
PNG
(2-[(3-bromophenyl)carbamoyl]-5-chlorophenyl diethy...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C17H18BrClNO5P/c1-3-23-26(22,24-4-2)25-16-11-13(19)8-9-15(16)17(21)20-14-7-5-6-12(18)10-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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PubMed
n/an/a 1.77E+3n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150746
PNG
(5-chloro-2-{[3-(trifluoromethyl)phenyl]carbamoyl}p...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H18ClF3NO5P/c1-3-26-29(25,27-4-2)28-16-11-13(19)8-9-15(16)17(24)23-14-7-5-6-12(10-14)18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)
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n/an/a 3.53E+3n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150739
PNG
(5-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl dieth...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H18Cl2NO5P/c1-3-23-26(22,24-4-2)25-16-11-13(19)8-9-15(16)17(21)20-14-7-5-6-12(18)10-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 3.68E+3n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
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 4.00E+3n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150742
PNG
(5-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl dieth...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C17H18ClFNO5P/c1-3-23-26(22,24-4-2)25-16-11-12(18)5-10-15(16)17(21)20-14-8-6-13(19)7-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 4.43E+3n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150744
PNG
(5-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl dieth...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H18Cl2NO5P/c1-3-23-26(22,24-4-2)25-16-11-13(19)7-10-15(16)17(21)20-14-8-5-12(18)6-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 5.01E+3n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
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 7.96E+3n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150743
PNG
(2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl diethy...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C17H18BrClNO5P/c1-3-23-26(22,24-4-2)25-16-11-13(19)7-10-15(16)17(21)20-14-8-5-12(18)6-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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PubMed
n/an/a 8.76E+3n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150747
PNG
(5-chloro-2-{[4-(trifluoromethyl)phenyl]carbamoyl}p...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H18ClF3NO5P/c1-3-26-29(25,27-4-2)28-16-11-13(19)7-10-15(16)17(24)23-14-8-5-12(6-9-14)18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)
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n/an/a 9.84E+3n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150726
PNG
(4‐bromo‐2‐{[4‐ (trifluorom...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H18BrF3NO5P/c1-3-26-29(25,27-4-2)28-16-10-7-13(19)11-15(16)17(24)23-14-8-5-12(6-9-14)18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)
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n/an/a 1.03E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150741
PNG
(5-chloro-2-[(3-fluorophenyl)carbamoyl]phenyl dieth...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C17H18ClFNO5P/c1-3-23-26(22,24-4-2)25-16-10-12(18)8-9-15(16)17(21)20-14-7-5-6-13(19)11-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 1.15E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150728
PNG
(4‐bromo‐2‐[(4‐bromophenyl)...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C17H18Br2NO5P/c1-3-23-26(22,24-4-2)25-16-10-7-13(19)11-15(16)17(21)20-14-8-5-12(18)6-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150725
PNG
(4‐bromo‐2‐{[3‐ (trifluorom...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H18BrF3NO5P/c1-3-26-29(25,27-4-2)28-16-9-8-13(19)11-15(16)17(24)23-14-7-5-6-12(10-14)18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)
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n/an/a 1.43E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150736
PNG
(2‐[(3‐bromophenyl)carbamoyl]‐4&#...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C17H18BrClNO5P/c1-3-23-26(22,24-4-2)25-16-9-8-13(19)11-15(16)17(21)20-14-7-5-6-12(18)10-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 1.69E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150727
PNG
(4‐bromo‐2‐[(3‐bromophenyl)...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C17H18Br2NO5P/c1-3-23-26(22,24-4-2)25-16-9-8-13(19)11-15(16)17(21)20-14-7-5-6-12(18)10-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150723
PNG
(4‐bromo‐2‐[(4‐chlorophenyl...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H18BrClNO5P/c1-3-23-26(22,24-4-2)25-16-10-5-12(18)11-15(16)17(21)20-14-8-6-13(19)7-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 1.99E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150733
PNG
(4‐chloro‐2‐[(4‐fluoropheny...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C17H18ClFNO5P/c1-3-23-26(22,24-4-2)25-16-10-5-12(18)11-15(16)17(21)20-14-8-6-13(19)7-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 2.05E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150738
PNG
(4‐chloro‐2‐{[4‐ (trifluoro...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H18ClF3NO5P/c1-3-26-29(25,27-4-2)28-16-10-7-13(19)11-15(16)17(24)23-14-8-5-12(6-9-14)18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)
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n/an/a 2.09E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150729
PNG
(4‐bromo‐2‐[(4‐fluorophenyl...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C17H18BrFNO5P/c1-3-23-26(22,24-4-2)25-16-10-5-12(18)11-15(16)17(21)20-14-8-6-13(19)7-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 2.27E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150722
PNG
(4‐bromo‐2‐[(3‐chlorophenyl...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H18BrClNO5P/c1-3-23-26(22,24-4-2)25-16-9-8-12(18)10-15(16)17(21)20-14-7-5-6-13(19)11-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 2.44E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150737
PNG
(4‐chloro‐2‐{[3‐ (trifluoro...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H18ClF3NO5P/c1-3-26-29(25,27-4-2)28-16-9-8-13(19)11-15(16)17(24)23-14-7-5-6-12(10-14)18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)
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n/an/a 2.48E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150730
PNG
(4‐chloro‐2‐[(3‐chloropheny...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H18Cl2NO5P/c1-3-23-26(22,24-4-2)25-16-9-8-13(19)11-15(16)17(21)20-14-7-5-6-12(18)10-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 2.81E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150732
PNG
(4‐chloro‐2‐[(3‐fluoropheny...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C17H18ClFNO5P/c1-3-23-26(22,24-4-2)25-16-9-8-12(18)10-15(16)17(21)20-14-7-5-6-13(19)11-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 3.16E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150740
PNG
(2-[(3-bromophenyl)carbamoyl]-5-chlorophenyl diethy...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C17H18BrClNO5P/c1-3-23-26(22,24-4-2)25-16-11-13(19)8-9-15(16)17(21)20-14-7-5-6-12(18)10-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 3.54E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150734
PNG
(2‐[(4‐bromophenyl)carbamoyl]‐4&#...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C17H18BrClNO5P/c1-3-23-26(22,24-4-2)25-16-10-7-13(19)11-15(16)17(21)20-14-8-5-12(18)6-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 4.02E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150735
PNG
(4‐chloro‐2‐[(3,4‐dichlorop...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl3NO5P/c1-3-24-27(23,25-4-2)26-16-8-5-11(18)9-13(16)17(22)21-12-6-7-14(19)15(20)10-12/h5-10H,3-4H2,1-2H3,(H,21,22)
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n/an/a 4.03E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150739
PNG
(5-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl dieth...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H18Cl2NO5P/c1-3-23-26(22,24-4-2)25-16-11-13(19)8-9-15(16)17(21)20-14-7-5-6-12(18)10-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 4.11E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150738
PNG
(4‐chloro‐2‐{[4‐ (trifluoro...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H18ClF3NO5P/c1-3-26-29(25,27-4-2)28-16-10-7-13(19)11-15(16)17(24)23-14-8-5-12(6-9-14)18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)
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n/an/a 4.16E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150731
PNG
(4‐chloro‐2‐[(4‐chloropheny...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H18Cl2NO5P/c1-3-23-26(22,24-4-2)25-16-10-7-13(19)11-15(16)17(21)20-14-8-5-12(18)6-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 4.21E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150723
PNG
(4‐bromo‐2‐[(4‐chlorophenyl...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H18BrClNO5P/c1-3-23-26(22,24-4-2)25-16-10-5-12(18)11-15(16)17(21)20-14-8-6-13(19)7-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 4.55E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150745
PNG
(5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl d...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl3NO5P/c1-3-24-27(23,25-4-2)26-16-9-11(18)5-7-13(16)17(22)21-12-6-8-14(19)15(20)10-12/h5-10H,3-4H2,1-2H3,(H,21,22)
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n/an/a 4.55E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150725
PNG
(4‐bromo‐2‐{[3‐ (trifluorom...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H18BrF3NO5P/c1-3-26-29(25,27-4-2)28-16-9-8-13(19)11-15(16)17(24)23-14-7-5-6-12(10-14)18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)
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n/an/a 4.61E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150733
PNG
(4‐chloro‐2‐[(4‐fluoropheny...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C17H18ClFNO5P/c1-3-23-26(22,24-4-2)25-16-10-5-12(18)11-15(16)17(21)20-14-8-6-13(19)7-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 4.85E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150724
PNG
(4‐bromo‐2‐[(3,4‐dichloroph...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17BrCl2NO5P/c1-3-24-27(23,25-4-2)26-16-8-5-11(18)9-13(16)17(22)21-12-6-7-14(19)15(20)10-12/h5-10H,3-4H2,1-2H3,(H,21,22)
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n/an/a 4.96E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150728
PNG
(4‐bromo‐2‐[(4‐bromophenyl)...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C17H18Br2NO5P/c1-3-23-26(22,24-4-2)25-16-10-7-13(19)11-15(16)17(21)20-14-8-5-12(18)6-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 5.08E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150737
PNG
(4‐chloro‐2‐{[3‐ (trifluoro...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H18ClF3NO5P/c1-3-26-29(25,27-4-2)28-16-9-8-13(19)11-15(16)17(24)23-14-7-5-6-12(10-14)18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)
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n/an/a 5.15E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150729
PNG
(4‐bromo‐2‐[(4‐fluorophenyl...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C17H18BrFNO5P/c1-3-23-26(22,24-4-2)25-16-10-5-12(18)11-15(16)17(21)20-14-8-6-13(19)7-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 5.37E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150743
PNG
(2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl diethy...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C17H18BrClNO5P/c1-3-23-26(22,24-4-2)25-16-11-13(19)7-10-15(16)17(21)20-14-8-5-12(18)6-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 5.51E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150724
PNG
(4‐bromo‐2‐[(3,4‐dichloroph...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17BrCl2NO5P/c1-3-24-27(23,25-4-2)26-16-8-5-11(18)9-13(16)17(22)21-12-6-7-14(19)15(20)10-12/h5-10H,3-4H2,1-2H3,(H,21,22)
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n/an/a 5.52E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150726
PNG
(4‐bromo‐2‐{[4‐ (trifluorom...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H18BrF3NO5P/c1-3-26-29(25,27-4-2)28-16-10-7-13(19)11-15(16)17(24)23-14-8-5-12(6-9-14)18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)
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n/an/a 5.67E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150734
PNG
(2‐[(4‐bromophenyl)carbamoyl]‐4&#...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C17H18BrClNO5P/c1-3-23-26(22,24-4-2)25-16-10-7-13(19)11-15(16)17(21)20-14-8-5-12(18)6-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 5.92E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150741
PNG
(5-chloro-2-[(3-fluorophenyl)carbamoyl]phenyl dieth...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C17H18ClFNO5P/c1-3-23-26(22,24-4-2)25-16-10-12(18)8-9-15(16)17(21)20-14-7-5-6-13(19)11-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 6.02E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150744
PNG
(5-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl dieth...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H18Cl2NO5P/c1-3-23-26(22,24-4-2)25-16-11-13(19)7-10-15(16)17(21)20-14-8-5-12(18)6-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 6.09E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150731
PNG
(4‐chloro‐2‐[(4‐chloropheny...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H18Cl2NO5P/c1-3-23-26(22,24-4-2)25-16-10-7-13(19)11-15(16)17(21)20-14-8-5-12(18)6-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 6.09E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150732
PNG
(4‐chloro‐2‐[(3‐fluoropheny...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C17H18ClFNO5P/c1-3-23-26(22,24-4-2)25-16-9-8-12(18)10-15(16)17(21)20-14-7-5-6-13(19)11-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 6.11E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150736
PNG
(2‐[(3‐bromophenyl)carbamoyl]‐4&#...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C17H18BrClNO5P/c1-3-23-26(22,24-4-2)25-16-9-8-13(19)11-15(16)17(21)20-14-7-5-6-12(18)10-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 6.33E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150730
PNG
(4‐chloro‐2‐[(3‐chloropheny...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H18Cl2NO5P/c1-3-23-26(22,24-4-2)25-16-9-8-13(19)11-15(16)17(21)20-14-7-5-6-12(18)10-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 6.43E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM150721
PNG
(4‐bromo‐2‐[(3‐fluorophenyl...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C17H18BrFNO5P/c1-3-23-26(22,24-4-2)25-16-9-8-12(18)10-15(16)17(21)20-14-7-5-6-13(19)11-14/h5-11H,3-4H2,1-2H3,(H,20,21)
PDB
MMDB

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n/an/a 6.83E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150721
PNG
(4‐bromo‐2‐[(3‐fluorophenyl...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C17H18BrFNO5P/c1-3-23-26(22,24-4-2)25-16-9-8-12(18)10-15(16)17(21)20-14-7-5-6-13(19)11-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 6.98E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150727
PNG
(4‐bromo‐2‐[(3‐bromophenyl)...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C17H18Br2NO5P/c1-3-23-26(22,24-4-2)25-16-9-8-13(19)11-15(16)17(21)20-14-7-5-6-12(18)10-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 7.03E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150746
PNG
(5-chloro-2-{[3-(trifluoromethyl)phenyl]carbamoyl}p...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H18ClF3NO5P/c1-3-26-29(25,27-4-2)28-16-11-13(19)8-9-15(16)17(24)23-14-7-5-6-12(10-14)18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)
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n/an/a 7.19E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150722
PNG
(4‐bromo‐2‐[(3‐chlorophenyl...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H18BrClNO5P/c1-3-23-26(22,24-4-2)25-16-9-8-12(18)10-15(16)17(21)20-14-7-5-6-13(19)11-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 7.99E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150742
PNG
(5-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl dieth...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C17H18ClFNO5P/c1-3-23-26(22,24-4-2)25-16-11-12(18)5-10-15(16)17(21)20-14-8-6-13(19)7-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 8.08E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150735
PNG
(4‐chloro‐2‐[(3,4‐dichlorop...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl3NO5P/c1-3-24-27(23,25-4-2)26-16-8-5-11(18)9-13(16)17(22)21-12-6-7-14(19)15(20)10-12/h5-10H,3-4H2,1-2H3,(H,21,22)
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n/an/a 8.09E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM150747
PNG
(5-chloro-2-{[4-(trifluoromethyl)phenyl]carbamoyl}p...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H18ClF3NO5P/c1-3-26-29(25,27-4-2)28-16-11-13(19)7-10-15(16)17(24)23-14-8-5-12(6-9-14)18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)
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n/an/a 8.63E+4n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 5.01E+5n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%