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PubMed code 27214510

Compile data set for download or QSAR
Found 33 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))		BDBM50197934
PNG
(CHEMBL3889532)
Show SMILES Fc1ccc(COc2ccc3cc(C(=O)NCCc4c[nH]c5ccccc45)c(=O)oc3c2)cc1
Show InChI InChI=1S/C27H21FN2O4/c28-20-8-5-17(6-9-20)16-33-21-10-7-18-13-23(27(32)34-25(18)14-21)26(31)29-12-11-19-15-30-24-4-2-1-3-22(19)24/h1-10,13-15,30H,11-12,16H2,(H,29,31)
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 490n/an/an/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Lineweaver-Burk plot analysis

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50197934
PNG
(CHEMBL3889532)
Show SMILES Fc1ccc(COc2ccc3cc(C(=O)NCCc4c[nH]c5ccccc45)c(=O)oc3c2)cc1
Show InChI InChI=1S/C27H21FN2O4/c28-20-8-5-17(6-9-20)16-33-21-10-7-18-13-23(27(32)34-25(18)14-21)26(31)29-12-11-19-15-30-24-4-2-1-3-22(19)24/h1-10,13-15,30H,11-12,16H2,(H,29,31)
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n/an/a 160n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50197933
PNG
(CHEMBL3948863)
Show SMILES O=C(NCCc1c[nH]c2ccccc12)c1cc2ccc(OCc3ccccc3)cc2oc1=O
Show InChI InChI=1S/C27H22N2O4/c30-26(28-13-12-20-16-29-24-9-5-4-8-22(20)24)23-14-19-10-11-21(15-25(19)33-27(23)31)32-17-18-6-2-1-3-7-18/h1-11,14-16,29H,12-13,17H2,(H,28,30)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50197939
PNG
(CHEMBL3976042)
Show SMILES Fc1ccccc1COc1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1
Show InChI InChI=1S/C27H21FN2O4/c28-23-7-3-1-5-19(23)16-33-20-10-9-17-13-22(27(32)34-25(17)14-20)26(31)29-12-11-18-15-30-24-8-4-2-6-21(18)24/h1-10,13-15,30H,11-12,16H2,(H,29,31)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50197951
PNG
(CHEMBL3956598)
Show SMILES Fc1cccc(COc2ccc3cc(C(=O)NCCc4c[nH]c5ccccc45)c(=O)oc3c2)c1
Show InChI InChI=1S/C27H21FN2O4/c28-20-5-3-4-17(12-20)16-33-21-9-8-18-13-23(27(32)34-25(18)14-21)26(31)29-11-10-19-15-30-24-7-2-1-6-22(19)24/h1-9,12-15,30H,10-11,16H2,(H,29,31)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50197932
PNG
(CHEMBL1366414)
Show SMILES COc1cccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)oc12
Show InChI InChI=1S/C21H18N2O4/c1-26-18-8-4-5-13-11-16(21(25)27-19(13)18)20(24)22-10-9-14-12-23-17-7-3-2-6-15(14)17/h2-8,11-12,23H,9-10H2,1H3,(H,22,24)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50197935
PNG
(CHEMBL3938998)
Show SMILES COc1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1
Show InChI InChI=1S/C21H18N2O4/c1-26-15-7-6-13-10-17(21(25)27-19(13)11-15)20(24)22-9-8-14-12-23-18-5-3-2-4-16(14)18/h2-7,10-12,23H,8-9H2,1H3,(H,22,24)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50197937
PNG
(CHEMBL1543615)
Show SMILES O=C(NCCc1c[nH]c2ccccc12)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C20H16N2O3/c23-19(16-11-13-5-1-4-8-18(13)25-20(16)24)21-10-9-14-12-22-17-7-3-2-6-15(14)17/h1-8,11-12,22H,9-10H2,(H,21,23)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 7.40E+3n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50197949
PNG
(CHEMBL3912096)
Show SMILES Clc1ccc(COc2ccc3cc(C(=O)NCCc4c[nH]c5ccccc45)c(=O)oc3c2)cc1
Show InChI InChI=1S/C27H21ClN2O4/c28-20-8-5-17(6-9-20)16-33-21-10-7-18-13-23(27(32)34-25(18)14-21)26(31)29-12-11-19-15-30-24-4-2-1-3-22(19)24/h1-10,13-15,30H,11-12,16H2,(H,29,31)
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n/an/a 1.24E+4n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50197933
PNG
(CHEMBL3948863)
Show SMILES O=C(NCCc1c[nH]c2ccccc12)c1cc2ccc(OCc3ccccc3)cc2oc1=O
Show InChI InChI=1S/C27H22N2O4/c30-26(28-13-12-20-16-29-24-9-5-4-8-22(20)24)23-14-19-10-11-21(15-25(19)33-27(23)31)32-17-18-6-2-1-3-7-18/h1-11,14-16,29H,12-13,17H2,(H,28,30)
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n/an/a 1.62E+4n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50197946
PNG
(CHEMBL3929967)
Show SMILES CCCOc1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1
Show InChI InChI=1S/C23H22N2O4/c1-2-11-28-17-8-7-15-12-19(23(27)29-21(15)13-17)22(26)24-10-9-16-14-25-20-6-4-3-5-18(16)20/h3-8,12-14,25H,2,9-11H2,1H3,(H,24,26)
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n/an/a 1.87E+4n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50197932
PNG
(CHEMBL1366414)
Show SMILES COc1cccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)oc12
Show InChI InChI=1S/C21H18N2O4/c1-26-18-8-4-5-13-11-16(21(25)27-19(13)18)20(24)22-10-9-14-12-23-17-7-3-2-6-15(14)17/h2-8,11-12,23H,9-10H2,1H3,(H,22,24)
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n/an/a 2.01E+4n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50197938
PNG
(CHEMBL3921055)
Show SMILES Clc1ccccc1COc1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1
Show InChI InChI=1S/C27H21ClN2O4/c28-23-7-3-1-5-19(23)16-33-20-10-9-17-13-22(27(32)34-25(17)14-20)26(31)29-12-11-18-15-30-24-8-4-2-6-21(18)24/h1-10,13-15,30H,11-12,16H2,(H,29,31)
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n/an/a 2.25E+4n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50197939
PNG
(CHEMBL3976042)
Show SMILES Fc1ccccc1COc1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1
Show InChI InChI=1S/C27H21FN2O4/c28-23-7-3-1-5-19(23)16-33-20-10-9-17-13-22(27(32)34-25(17)14-20)26(31)29-12-11-18-15-30-24-8-4-2-6-21(18)24/h1-10,13-15,30H,11-12,16H2,(H,29,31)
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n/an/a 2.75E+4n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50197951
PNG
(CHEMBL3956598)
Show SMILES Fc1cccc(COc2ccc3cc(C(=O)NCCc4c[nH]c5ccccc45)c(=O)oc3c2)c1
Show InChI InChI=1S/C27H21FN2O4/c28-20-5-3-4-17(12-20)16-33-21-9-8-18-13-23(27(32)34-25(18)14-21)26(31)29-11-10-19-15-30-24-7-2-1-6-22(19)24/h1-9,12-15,30H,10-11,16H2,(H,29,31)
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n/an/a 2.78E+4n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50197934
PNG
(CHEMBL3889532)
Show SMILES Fc1ccc(COc2ccc3cc(C(=O)NCCc4c[nH]c5ccccc45)c(=O)oc3c2)cc1
Show InChI InChI=1S/C27H21FN2O4/c28-20-8-5-17(6-9-20)16-33-21-10-7-18-13-23(27(32)34-25(18)14-21)26(31)29-12-11-19-15-30-24-4-2-1-3-22(19)24/h1-10,13-15,30H,11-12,16H2,(H,29,31)
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n/an/a 2.97E+4n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50197952
PNG
(CHEMBL3905250)
Show SMILES Clc1ccc(COc2ccc3cc(C(=O)NCCc4c[nH]c5ccccc45)c(=O)oc3c2)cc1Cl
Show InChI InChI=1S/C27H20Cl2N2O4/c28-22-8-5-16(11-23(22)29)15-34-19-7-6-17-12-21(27(33)35-25(17)13-19)26(32)30-10-9-18-14-31-24-4-2-1-3-20(18)24/h1-8,11-14,31H,9-10,15H2,(H,30,32)
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n/an/a 3.15E+4n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50197935
PNG
(CHEMBL3938998)
Show SMILES COc1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1
Show InChI InChI=1S/C21H18N2O4/c1-26-15-7-6-13-10-17(21(25)27-19(13)11-15)20(24)22-9-8-14-12-23-18-5-3-2-4-16(14)18/h2-7,10-12,23H,8-9H2,1H3,(H,22,24)
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n/an/a 3.46E+4n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50197943
PNG
(CHEMBL3957520)
Show SMILES CCOc1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1
Show InChI InChI=1S/C22H20N2O4/c1-2-27-16-8-7-14-11-18(22(26)28-20(14)12-16)21(25)23-10-9-15-13-24-19-6-4-3-5-17(15)19/h3-8,11-13,24H,2,9-10H2,1H3,(H,23,25)
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n/an/a 4.38E+4n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50197937
PNG
(CHEMBL1543615)
Show SMILES O=C(NCCc1c[nH]c2ccccc12)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C20H16N2O3/c23-19(16-11-13-5-1-4-8-18(13)25-20(16)24)21-10-9-14-12-22-17-7-3-2-6-15(14)17/h1-8,11-12,22H,9-10H2,(H,21,23)
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n/an/a 5.05E+4n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50197930
PNG
(CHEMBL3968527)
Show SMILES Oc1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1
Show InChI InChI=1S/C20H16N2O4/c23-14-6-5-12-9-16(20(25)26-18(12)10-14)19(24)21-8-7-13-11-22-17-4-2-1-3-15(13)17/h1-6,9-11,22-23H,7-8H2,(H,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50197946
PNG
(CHEMBL3929967)
Show SMILES CCCOc1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1
Show InChI InChI=1S/C23H22N2O4/c1-2-11-28-17-8-7-15-12-19(23(27)29-21(15)13-17)22(26)24-10-9-16-14-25-20-6-4-3-5-18(16)20/h3-8,12-14,25H,2,9-11H2,1H3,(H,24,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50197943
PNG
(CHEMBL3957520)
Show SMILES CCOc1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1
Show InChI InChI=1S/C22H20N2O4/c1-2-27-16-8-7-14-11-18(22(26)28-20(14)12-16)21(25)23-10-9-15-13-24-19-6-4-3-5-17(15)19/h3-8,11-13,24H,2,9-10H2,1H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50197949
PNG
(CHEMBL3912096)
Show SMILES Clc1ccc(COc2ccc3cc(C(=O)NCCc4c[nH]c5ccccc45)c(=O)oc3c2)cc1
Show InChI InChI=1S/C27H21ClN2O4/c28-20-8-5-17(6-9-20)16-33-21-10-7-18-13-23(27(32)34-25(18)14-21)26(31)29-12-11-19-15-30-24-4-2-1-3-22(19)24/h1-10,13-15,30H,11-12,16H2,(H,29,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50197930
PNG
(CHEMBL3968527)
Show SMILES Oc1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1
Show InChI InChI=1S/C20H16N2O4/c23-14-6-5-12-9-16(20(25)26-18(12)10-14)19(24)21-8-7-13-11-22-17-4-2-1-3-15(13)17/h1-6,9-11,22-23H,7-8H2,(H,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50197936
PNG
(CHEMBL3968400)
Show SMILES Brc1ccc2oc(=O)c(cc2c1)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C20H15BrN2O3/c21-14-5-6-18-13(9-14)10-16(20(25)26-18)19(24)22-8-7-12-11-23-17-4-2-1-3-15(12)17/h1-6,9-11,23H,7-8H2,(H,22,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50197952
PNG
(CHEMBL3905250)
Show SMILES Clc1ccc(COc2ccc3cc(C(=O)NCCc4c[nH]c5ccccc45)c(=O)oc3c2)cc1Cl
Show InChI InChI=1S/C27H20Cl2N2O4/c28-22-8-5-16(11-23(22)29)15-34-19-7-6-17-12-21(27(33)35-25(17)13-19)26(32)30-10-9-18-14-31-24-4-2-1-3-20(18)24/h1-8,11-14,31H,9-10,15H2,(H,30,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50197931
PNG
(CHEMBL3940086)
Show SMILES Clc1cccc(COc2ccc3cc(C(=O)NCCc4c[nH]c5ccccc45)c(=O)oc3c2)c1Cl
Show InChI InChI=1S/C27H20Cl2N2O4/c28-22-6-3-4-18(25(22)29)15-34-19-9-8-16-12-21(27(33)35-24(16)13-19)26(32)30-11-10-17-14-31-23-7-2-1-5-20(17)23/h1-9,12-14,31H,10-11,15H2,(H,30,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50197938
PNG
(CHEMBL3921055)
Show SMILES Clc1ccccc1COc1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1
Show InChI InChI=1S/C27H21ClN2O4/c28-23-7-3-1-5-19(23)16-33-20-10-9-17-13-22(27(32)34-25(17)14-20)26(31)29-12-11-18-15-30-24-8-4-2-6-21(18)24/h1-10,13-15,30H,11-12,16H2,(H,29,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50197936
PNG
(CHEMBL3968400)
Show SMILES Brc1ccc2oc(=O)c(cc2c1)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C20H15BrN2O3/c21-14-5-6-18-13(9-14)10-16(20(25)26-18)19(24)22-8-7-12-11-23-17-4-2-1-3-15(12)17/h1-6,9-11,23H,7-8H2,(H,22,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50197931
PNG
(CHEMBL3940086)
Show SMILES Clc1cccc(COc2ccc3cc(C(=O)NCCc4c[nH]c5ccccc45)c(=O)oc3c2)c1Cl
Show InChI InChI=1S/C27H20Cl2N2O4/c28-22-6-3-4-18(25(22)29)15-34-19-9-8-16-12-21(27(33)35-24(16)13-19)26(32)30-11-10-17-14-31-23-7-2-1-5-20(17)23/h1-9,12-14,31H,10-11,15H2,(H,30,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's method

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%