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PubMed code 24389509

Compile data set for download or QSAR
Found 17 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))
BDBM50448131
PNG
(CHEMBL3122167)
Show SMILES CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCNc3c2c1
Show InChI InChI=1S/C21H20ClN3O/c1-2-23-21(26)14-7-10-18-17(12-14)20-16(4-3-11-24-20)19(25-18)13-5-8-15(22)9-6-13/h5-10,12,24H,2-4,11H2,1H3,(H,23,26)
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PubMed
n/an/a 46n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...


Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448132
PNG
(CHEMBL3122150)
Show SMILES CCNCc1ccc2nc(-c3ccc(Cl)cc3)c3CCCN(Cc4ccccc4)c3c2c1
Show InChI InChI=1S/C28H28ClN3/c1-2-30-18-21-10-15-26-25(17-21)28-24(27(31-26)22-11-13-23(29)14-12-22)9-6-16-32(28)19-20-7-4-3-5-8-20/h3-5,7-8,10-15,17,30H,2,6,9,16,18-19H2,1H3
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n/an/a 147n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...


Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448135
PNG
(CHEMBL3122166)
Show SMILES CCOC(=O)c1ccc2nc(-c3cccnc3)c3CCCNc3c2c1
Show InChI InChI=1S/C20H19N3O2/c1-2-25-20(24)13-7-8-17-16(11-13)19-15(6-4-10-22-19)18(23-17)14-5-3-9-21-12-14/h3,5,7-9,11-12,22H,2,4,6,10H2,1H3
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n/an/a 148n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...


Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448138
PNG
(CHEMBL3122147)
Show SMILES CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCNc3c2c1
Show InChI InChI=1S/C21H19ClN2O2/c1-2-26-21(25)14-7-10-18-17(12-14)20-16(4-3-11-23-20)19(24-18)13-5-8-15(22)9-6-13/h5-10,12,23H,2-4,11H2,1H3
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n/an/a 281n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...


Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448130
PNG
(CHEMBL3122168)
Show SMILES CCNCc1ccc2nc(c3CCCNc3c2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClN3/c1-2-23-13-14-5-10-19-18(12-14)21-17(4-3-11-24-21)20(25-19)15-6-8-16(22)9-7-15/h5-10,12,23-24H,2-4,11,13H2,1H3
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n/an/a 532n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...


Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448140
PNG
(CHEMBL3122145)
Show SMILES CCOC(=O)c1ccc2nc(-c3cccnc3)c3CCCN(Cc4ccccc4)c3c2c1
Show InChI InChI=1S/C27H25N3O2/c1-2-32-27(31)20-12-13-24-23(16-20)26-22(25(29-24)21-10-6-14-28-17-21)11-7-15-30(26)18-19-8-4-3-5-9-19/h3-6,8-10,12-14,16-17H,2,7,11,15,18H2,1H3
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n/an/a 1.97E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...


Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448134
PNG
(CHEMBL3122169)
Show SMILES CCNCc1ccc2nc(c3CCCNc3c2c1)-c1cccnc1
Show InChI InChI=1S/C20H22N4/c1-2-21-12-14-7-8-18-17(11-14)20-16(6-4-10-23-20)19(24-18)15-5-3-9-22-13-15/h3,5,7-9,11,13,21,23H,2,4,6,10,12H2,1H3
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n/an/a 2.15E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...


Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448133
PNG
(CHEMBL3122170)
Show SMILES CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCC(=O)N(Cc4ccccc4)c3c2c1
Show InChI InChI=1S/C28H23ClN2O3/c1-2-34-28(33)20-10-14-24-23(16-20)27-22(26(30-24)19-8-11-21(29)12-9-19)13-15-25(32)31(27)17-18-6-4-3-5-7-18/h3-12,14,16H,2,13,15,17H2,1H3
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n/an/a 5.21E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...


Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448136
PNG
(CHEMBL3122149)
Show SMILES CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCN(Cc4ccccc4)c3c2c1
Show InChI InChI=1S/C28H26ClN3O/c1-2-30-28(33)21-12-15-25-24(17-21)27-23(26(31-25)20-10-13-22(29)14-11-20)9-6-16-32(27)18-19-7-4-3-5-8-19/h3-5,7-8,10-15,17H,2,6,9,16,18H2,1H3,(H,30,33)
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n/an/a 5.48E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...


Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448141
PNG
(CHEMBL3122172)
Show SMILES CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCN(Cc4ccccc4)c3c2c1
Show InChI InChI=1S/C28H25ClN2O2/c1-2-33-28(32)21-12-15-25-24(17-21)27-23(26(30-25)20-10-13-22(29)14-11-20)9-6-16-31(27)18-19-7-4-3-5-8-19/h3-5,7-8,10-15,17H,2,6,9,16,18H2,1H3
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n/an/a 6.33E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...


Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448139
PNG
(CHEMBL3122146)
Show SMILES CCOC(=O)c1ccc2nc(-c3ccc(cc3)C(=O)OC)c3CCCN(Cc4ccccc4)c3c2c1
Show InChI InChI=1S/C30H28N2O4/c1-3-36-30(34)23-15-16-26-25(18-23)28-24(10-7-17-32(28)19-20-8-5-4-6-9-20)27(31-26)21-11-13-22(14-12-21)29(33)35-2/h4-6,8-9,11-16,18H,3,7,10,17,19H2,1-2H3
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n/an/a 6.62E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...


Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448142
PNG
(CHEMBL3120185)
Show SMILES CCOC(=O)c1ccc2nc(-c3ccc(cc3)C(=O)OC)c3CCC(=O)N(Cc4ccccc4)c3c2c1
Show InChI InChI=1S/C30H26N2O5/c1-3-37-30(35)22-13-15-25-24(17-22)28-23(14-16-26(33)32(28)18-19-7-5-4-6-8-19)27(31-25)20-9-11-21(12-10-20)29(34)36-2/h4-13,15,17H,3,14,16,18H2,1-2H3
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n/an/a 1.36E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...


Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448143
PNG
(CHEMBL3122171)
Show SMILES CCOC(=O)c1ccc2nc(-c3cccnc3)c3CCC(=O)N(Cc4ccccc4)c3c2c1
Show InChI InChI=1S/C27H23N3O3/c1-2-33-27(32)19-10-12-23-22(15-19)26-21(25(29-23)20-9-6-14-28-16-20)11-13-24(31)30(26)17-18-7-4-3-5-8-18/h3-10,12,14-16H,2,11,13,17H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...


Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448137
PNG
(CHEMBL3122148)
Show SMILES CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCN(Cc4ccc(OC)cc4)c3c2c1
Show InChI InChI=1S/C29H27ClN2O3/c1-3-35-29(33)21-10-15-26-25(17-21)28-24(27(31-26)20-8-11-22(30)12-9-20)5-4-16-32(28)18-19-6-13-23(34-2)14-7-19/h6-15,17H,3-5,16,18H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...


Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448130
PNG
(CHEMBL3122168)
Show SMILES CCNCc1ccc2nc(c3CCCNc3c2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClN3/c1-2-23-13-14-5-10-19-18(12-14)21-17(4-3-11-24-21)20(25-19)15-6-8-16(22)9-7-15/h5-10,12,23-24H,2-4,11,13H2,1H3
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n/an/an/a 2.18E+3n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of propidium from electric eel AChE peripheral anionic site assessed as decrease in fluorescence intensity by spectrofluorometric analys...


Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448131
PNG
(CHEMBL3122167)
Show SMILES CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCNc3c2c1
Show InChI InChI=1S/C21H20ClN3O/c1-2-23-21(26)14-7-10-18-17(12-14)20-16(4-3-11-24-20)19(25-18)13-5-8-15(22)9-6-13/h5-10,12,24H,2-4,11H2,1H3,(H,23,26)
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n/an/an/a 1.76E+3n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of propidium from electric eel AChE peripheral anionic site assessed as decrease in fluorescence intensity by spectrofluorometric analys...


Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448132
PNG
(CHEMBL3122150)
Show SMILES CCNCc1ccc2nc(-c3ccc(Cl)cc3)c3CCCN(Cc4ccccc4)c3c2c1
Show InChI InChI=1S/C28H28ClN3/c1-2-30-18-21-10-15-26-25(17-21)28-24(27(31-26)22-11-13-23(29)14-12-22)9-6-16-32(28)19-20-7-4-3-5-8-20/h3-5,7-8,10-15,17,30H,2,6,9,16,18-19H2,1H3
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n/an/an/a 3.20E+3n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of propidium from electric eel AChE peripheral anionic site assessed as decrease in fluorescence intensity by spectrofluorometric analys...


Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%