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PubMed code 26947959

Compile data set for download or QSAR
Found 35 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


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
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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2n/an/an/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Pseudo-irreversible inhibition of Torpedo californica AChE using acetylthiocholine as substrate by cornish bowden plot analysis


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50149957
PNG
(CHEMBL3769730)
Show SMILES CCOC(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C12H13FN2O2S/c1-3-17-12(16)14-7(2)11-15-9-5-4-8(13)6-10(9)18-11/h4-7H,3H2,1-2H3,(H,14,16)/t7-/s2
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n/an/a 6.06E+3n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50149953
PNG
(CHEMBL3771027)
Show SMILES C[C@@H](NC(=O)OCC(F)(F)C(F)F)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C13H11F5N2O2S/c1-6(19-12(21)22-5-13(17,18)11(15)16)10-20-8-3-2-7(14)4-9(8)23-10/h2-4,6,11H,5H2,1H3,(H,19,21)/t6-/s2
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n/an/a 6.75E+3n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50149951
PNG
(CHEMBL3771191)
Show SMILES C[C@@H](NC(=O)OCC(F)(F)Cl)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C12H10ClF3N2O2S/c1-6(17-11(19)20-5-12(13,15)16)10-18-8-3-2-7(14)4-9(8)21-10/h2-4,6H,5H2,1H3,(H,17,19)/t6-/s2
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n/an/a 8.14E+3n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50149950
PNG
(CHEMBL3770572)
Show SMILES C[C@@H](NC(=O)OCC(Cl)(Cl)Cl)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C12H10Cl3FN2O2S/c1-6(17-11(19)20-5-12(13,14)15)10-18-8-3-2-7(16)4-9(8)21-10/h2-4,6H,5H2,1H3,(H,17,19)/t6-/s2
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n/an/a 8.31E+3n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50149959
PNG
(CHEMBL3769959)
Show SMILES CCCCOC(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C14H17FN2O2S/c1-3-4-7-19-14(18)16-9(2)13-17-11-6-5-10(15)8-12(11)20-13/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,18)/t9-/s2
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n/an/a 9.26E+3n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50149962
PNG
(CHEMBL3770856)
Show SMILES C[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C14H17FN2O2S/c1-8(16-13(18)19-14(2,3)4)12-17-10-6-5-9(15)7-11(10)20-12/h5-8H,1-4H3,(H,16,18)/t8-/s2
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n/an/a 1.05E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50149948
PNG
(CHEMBL3770816)
Show SMILES C[C@@H](NC(=O)OCCBr)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C12H12BrFN2O2S/c1-7(15-12(17)18-5-4-13)11-16-9-3-2-8(14)6-10(9)19-11/h2-3,6-7H,4-5H2,1H3,(H,15,17)/t7-/s2
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n/an/a 1.14E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50149939
PNG
(CHEMBL3769807)
Show SMILES C[C@@H](NC(=O)OCCCl)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C12H12ClFN2O2S/c1-7(15-12(17)18-5-4-13)11-16-9-3-2-8(14)6-10(9)19-11/h2-3,6-7H,4-5H2,1H3,(H,15,17)/t7-/s2
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n/an/a 1.27E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50149961
PNG
(CHEMBL3770054)
Show SMILES CC(C)COC(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C14H17FN2O2S/c1-8(2)7-19-14(18)16-9(3)13-17-11-5-4-10(15)6-12(11)20-13/h4-6,8-9H,7H2,1-3H3,(H,16,18)/t9-/s2
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n/an/a 1.29E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50149958
PNG
(CHEMBL3770152)
Show SMILES CCCOC(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C13H15FN2O2S/c1-3-6-18-13(17)15-8(2)12-16-10-5-4-9(14)7-11(10)19-12/h4-5,7-8H,3,6H2,1-2H3,(H,15,17)/t8-/s2
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n/an/a 1.31E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50149956
PNG
(CHEMBL3770401)
Show SMILES COC(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C11H11FN2O2S/c1-6(13-11(15)16-2)10-14-8-4-3-7(12)5-9(8)17-10/h3-6H,1-2H3,(H,13,15)/t6-/s2
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n/an/a 1.36E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50149960
PNG
(CHEMBL3771281)
Show SMILES CC(C)OC(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C13H15FN2O2S/c1-7(2)18-13(17)15-8(3)12-16-10-5-4-9(14)6-11(10)19-12/h4-8H,1-3H3,(H,15,17)/t8-/s2
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n/an/a 1.65E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50149957
PNG
(CHEMBL3769730)
Show SMILES CCOC(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C12H13FN2O2S/c1-3-17-12(16)14-7(2)11-15-9-5-4-8(13)6-10(9)18-11/h4-7H,3H2,1-2H3,(H,14,16)/t7-/s2
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n/an/a 2.01E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50149962
PNG
(CHEMBL3770856)
Show SMILES C[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C14H17FN2O2S/c1-8(16-13(18)19-14(2,3)4)12-17-10-6-5-9(15)7-11(10)20-12/h5-8H,1-4H3,(H,16,18)/t8-/s2
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n/an/a 2.31E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50149953
PNG
(CHEMBL3771027)
Show SMILES C[C@@H](NC(=O)OCC(F)(F)C(F)F)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C13H11F5N2O2S/c1-6(19-12(21)22-5-13(17,18)11(15)16)10-20-8-3-2-7(14)4-9(8)23-10/h2-4,6,11H,5H2,1H3,(H,19,21)/t6-/s2
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50149951
PNG
(CHEMBL3771191)
Show SMILES C[C@@H](NC(=O)OCC(F)(F)Cl)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C12H10ClF3N2O2S/c1-6(17-11(19)20-5-12(13,15)16)10-18-8-3-2-7(14)4-9(8)21-10/h2-4,6H,5H2,1H3,(H,17,19)/t6-/s2
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n/an/a 2.56E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50149960
PNG
(CHEMBL3771281)
Show SMILES CC(C)OC(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C13H15FN2O2S/c1-7(2)18-13(17)15-8(3)12-16-10-5-4-9(14)6-11(10)19-12/h4-8H,1-3H3,(H,15,17)/t8-/s2
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n/an/a 3.27E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50149958
PNG
(CHEMBL3770152)
Show SMILES CCCOC(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C13H15FN2O2S/c1-3-6-18-13(17)15-8(2)12-16-10-5-4-9(14)7-11(10)19-12/h4-5,7-8H,3,6H2,1-2H3,(H,15,17)/t8-/s2
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n/an/a 3.46E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50149948
PNG
(CHEMBL3770816)
Show SMILES C[C@@H](NC(=O)OCCBr)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C12H12BrFN2O2S/c1-7(15-12(17)18-5-4-13)11-16-9-3-2-8(14)6-10(9)19-11/h2-3,6-7H,4-5H2,1H3,(H,15,17)/t7-/s2
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n/an/a 3.84E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
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 3.84E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50149949
PNG
(CHEMBL3769638)
Show SMILES C[C@@H](NC(=O)OCCCCl)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C13H14ClFN2O2S/c1-8(16-13(18)19-6-2-5-14)12-17-10-4-3-9(15)7-11(10)20-12/h3-4,7-8H,2,5-6H2,1H3,(H,16,18)/t8-/s2
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n/an/a 3.88E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50149961
PNG
(CHEMBL3770054)
Show SMILES CC(C)COC(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C14H17FN2O2S/c1-8(2)7-19-14(18)16-9(3)13-17-11-5-4-10(15)6-12(11)20-13/h4-6,8-9H,7H2,1-3H3,(H,16,18)/t9-/s2
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n/an/a 4.02E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50149952
PNG
(CHEMBL3770851)
Show SMILES C[C@@H](NC(=O)OCC(F)(F)F)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C12H10F4N2O2S/c1-6(17-11(19)20-5-12(14,15)16)10-18-8-3-2-7(13)4-9(8)21-10/h2-4,6H,5H2,1H3,(H,17,19)/t6-/s2
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n/an/a 4.05E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50149959
PNG
(CHEMBL3769959)
Show SMILES CCCCOC(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C14H17FN2O2S/c1-3-4-7-19-14(18)16-9(2)13-17-11-6-5-10(15)8-12(11)20-13/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,18)/t9-/s2
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n/an/a 4.09E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50149939
PNG
(CHEMBL3769807)
Show SMILES C[C@@H](NC(=O)OCCCl)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C12H12ClFN2O2S/c1-7(15-12(17)18-5-4-13)11-16-9-3-2-8(14)6-10(9)19-11/h2-3,6-7H,4-5H2,1H3,(H,15,17)/t7-/s2
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n/an/a 4.12E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
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 5.61E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50149955
PNG
(CHEMBL3770297)
Show SMILES COCCOC(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C13H15FN2O3S/c1-8(15-13(17)19-6-5-18-2)12-16-10-4-3-9(14)7-11(10)20-12/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)/t8-/s2
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n/an/a 5.62E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50149952
PNG
(CHEMBL3770851)
Show SMILES C[C@@H](NC(=O)OCC(F)(F)F)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C12H10F4N2O2S/c1-6(17-11(19)20-5-12(14,15)16)10-18-8-3-2-7(13)4-9(8)21-10/h2-4,6H,5H2,1H3,(H,17,19)/t6-/s2
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n/an/a 6.34E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50149955
PNG
(CHEMBL3770297)
Show SMILES COCCOC(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C13H15FN2O3S/c1-8(15-13(17)19-6-5-18-2)12-16-10-4-3-9(14)7-11(10)20-12/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)/t8-/s2
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n/an/a 6.63E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50149954
PNG
(CHEMBL3770408)
Show SMILES C[C@@H](NC(=O)OCC(F)(F)C(F)(F)C(F)(F)F)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C14H10F8N2O2S/c1-6(10-24-8-3-2-7(15)4-9(8)27-10)23-11(25)26-5-12(16,17)13(18,19)14(20,21)22/h2-4,6H,5H2,1H3,(H,23,25)/t6-/s2
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n/an/a 7.45E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50149949
PNG
(CHEMBL3769638)
Show SMILES C[C@@H](NC(=O)OCCCCl)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C13H14ClFN2O2S/c1-8(16-13(18)19-6-2-5-14)12-17-10-4-3-9(15)7-11(10)20-12/h3-4,7-8H,2,5-6H2,1H3,(H,16,18)/t8-/s2
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n/an/a 8.05E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50149954
PNG
(CHEMBL3770408)
Show SMILES C[C@@H](NC(=O)OCC(F)(F)C(F)(F)C(F)(F)F)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C14H10F8N2O2S/c1-6(10-24-8-3-2-7(15)4-9(8)27-10)23-11(25)26-5-12(16,17)13(18,19)14(20,21)22/h2-4,6H,5H2,1H3,(H,23,25)/t6-/s2
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n/an/a 8.19E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50149956
PNG
(CHEMBL3770401)
Show SMILES COC(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C11H11FN2O2S/c1-6(13-11(15)16-2)10-14-8-4-3-7(12)5-9(8)17-10/h3-6H,1-2H3,(H,13,15)/t6-/s2
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n/an/a 9.03E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50149950
PNG
(CHEMBL3770572)
Show SMILES C[C@@H](NC(=O)OCC(Cl)(Cl)Cl)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C12H10Cl3FN2O2S/c1-6(17-11(19)20-5-12(13,14)15)10-18-8-3-2-7(16)4-9(8)21-10/h2-4,6H,5H2,1H3,(H,17,19)/t6-/s2
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n/an/a 9.22E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%