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PubMed code 24530494

Compile data set for download or QSAR
Found 42 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))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1/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 13n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50449209
PNG
(CHEMBL3127978)
Show SMILES Cn1c(CNc2ccccc2)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C31H37N3O/c1-33-29(23-32-28-12-6-3-7-13-28)21-27-22-30(14-15-31(27)33)35-20-8-11-25-16-18-34(19-17-25)24-26-9-4-2-5-10-26/h2-7,9-10,12-15,21-22,25,32H,8,11,16-20,23-24H2,1H3
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n/an/a 84n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50449209
PNG
(CHEMBL3127978)
Show SMILES Cn1c(CNc2ccccc2)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C31H37N3O/c1-33-29(23-32-28-12-6-3-7-13-28)21-27-22-30(14-15-31(27)33)35-20-8-11-25-16-18-34(19-17-25)24-26-9-4-2-5-10-26/h2-7,9-10,12-15,21-22,25,32H,8,11,16-20,23-24H2,1H3
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n/an/a 84n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50449211
PNG
(CHEMBL3127966)
Show SMILES Cn1c(CN2CCOCC2)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C29H39N3O2/c1-30-27(23-32-15-18-33-19-16-32)20-26-21-28(9-10-29(26)30)34-17-5-8-24-11-13-31(14-12-24)22-25-6-3-2-4-7-25/h2-4,6-7,9-10,20-21,24H,5,8,11-19,22-23H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50449218
PNG
(CHEMBL3127975)
Show SMILES Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(=O)NCC#C
Show InChI InChI=1S/C28H33N3O2/c1-3-15-29-28(32)27-20-24-19-25(11-12-26(24)30(27)2)33-18-7-10-22-13-16-31(17-14-22)21-23-8-5-4-6-9-23/h1,4-6,8-9,11-12,19-20,22H,7,10,13-18,21H2,2H3,(H,29,32)
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n/an/a 130n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50449214
PNG
(CHEMBL3127977)
Show SMILES Cn1c(CNCc2ccccc2)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C32H39N3O/c1-34-30(24-33-23-27-9-4-2-5-10-27)21-29-22-31(14-15-32(29)34)36-20-8-13-26-16-18-35(19-17-26)25-28-11-6-3-7-12-28/h2-7,9-12,14-15,21-22,26,33H,8,13,16-20,23-25H2,1H3
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n/an/a 140n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50449212
PNG
(CHEMBL3127968)
Show SMILES Cn1c(CNCC=C)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C28H37N3O/c1-3-15-29-21-26-19-25-20-27(11-12-28(25)30(26)2)32-18-7-10-23-13-16-31(17-14-23)22-24-8-5-4-6-9-24/h3-6,8-9,11-12,19-20,23,29H,1,7,10,13-18,21-22H2,2H3
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n/an/a 140n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50449212
PNG
(CHEMBL3127968)
Show SMILES Cn1c(CNCC=C)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C28H37N3O/c1-3-15-29-21-26-19-25-20-27(11-12-28(25)30(26)2)32-18-7-10-23-13-16-31(17-14-23)22-24-8-5-4-6-9-24/h3-6,8-9,11-12,19-20,23,29H,1,7,10,13-18,21-22H2,2H3
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n/an/a 140n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50449214
PNG
(CHEMBL3127977)
Show SMILES Cn1c(CNCc2ccccc2)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C32H39N3O/c1-34-30(24-33-23-27-9-4-2-5-10-27)21-29-22-31(14-15-32(29)34)36-20-8-13-26-16-18-35(19-17-26)25-28-11-6-3-7-12-28/h2-7,9-12,14-15,21-22,26,33H,8,13,16-20,23-25H2,1H3
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n/an/a 140n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50449210
PNG
(CHEMBL3127967)
Show SMILES Cn1c(CNCC#C)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C28H35N3O/c1-3-15-29-21-26-19-25-20-27(11-12-28(25)30(26)2)32-18-7-10-23-13-16-31(17-14-23)22-24-8-5-4-6-9-24/h1,4-6,8-9,11-12,19-20,23,29H,7,10,13-18,21-22H2,2H3
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n/an/a 190n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50449210
PNG
(CHEMBL3127967)
Show SMILES Cn1c(CNCC#C)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C28H35N3O/c1-3-15-29-21-26-19-25-20-27(11-12-28(25)30(26)2)32-18-7-10-23-13-16-31(17-14-23)22-24-8-5-4-6-9-24/h1,4-6,8-9,11-12,19-20,23,29H,7,10,13-18,21-22H2,2H3
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n/an/a 190n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50449217
PNG
(CHEMBL3127976)
Show SMILES Cn1c(CO)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C25H32N2O2/c1-26-23(19-28)16-22-17-24(9-10-25(22)26)29-15-5-8-20-11-13-27(14-12-20)18-21-6-3-2-4-7-21/h2-4,6-7,9-10,16-17,20,28H,5,8,11-15,18-19H2,1H3
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n/an/a 240n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50449216
PNG
(CHEMBL3127970)
Show SMILES CCOC(=O)c1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C27H34N2O3/c1-3-31-27(30)26-19-23-18-24(11-12-25(23)28(26)2)32-17-7-10-21-13-15-29(16-14-21)20-22-8-5-4-6-9-22/h4-6,8-9,11-12,18-19,21H,3,7,10,13-17,20H2,1-2H3
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n/an/a 270n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50449215
PNG
(CHEMBL3127974)
Show SMILES Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H37N3O3/c1-30-27-10-9-26(20-25(27)21-28(30)29(33)32-15-18-34-19-16-32)35-17-5-8-23-11-13-31(14-12-23)22-24-6-3-2-4-7-24/h2-4,6-7,9-10,20-21,23H,5,8,11-19,22H2,1H3
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n/an/a 270n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50449214
PNG
(CHEMBL3127977)
Show SMILES Cn1c(CNCc2ccccc2)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C32H39N3O/c1-34-30(24-33-23-27-9-4-2-5-10-27)21-29-22-31(14-15-32(29)34)36-20-8-13-26-16-18-35(19-17-26)25-28-11-6-3-7-12-28/h2-7,9-12,14-15,21-22,26,33H,8,13,16-20,23-25H2,1H3
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n/an/a 290n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50449214
PNG
(CHEMBL3127977)
Show SMILES Cn1c(CNCc2ccccc2)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C32H39N3O/c1-34-30(24-33-23-27-9-4-2-5-10-27)21-29-22-31(14-15-32(29)34)36-20-8-13-26-16-18-35(19-17-26)25-28-11-6-3-7-12-28/h2-7,9-12,14-15,21-22,26,33H,8,13,16-20,23-25H2,1H3
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n/an/a 290n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50359391
PNG
(CHEMBL1929421)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3
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n/an/a 350n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50449213
PNG
(CHEMBL3127971)
Show SMILES Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(O)=O
Show InChI InChI=1S/C25H30N2O3/c1-26-23-10-9-22(16-21(23)17-24(26)25(28)29)30-15-5-8-19-11-13-27(14-12-19)18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16-17,19H,5,8,11-15,18H2,1H3,(H,28,29)
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n/an/a 400n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50449212
PNG
(CHEMBL3127968)
Show SMILES Cn1c(CNCC=C)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C28H37N3O/c1-3-15-29-21-26-19-25-20-27(11-12-28(25)30(26)2)32-18-7-10-23-13-16-31(17-14-23)22-24-8-5-4-6-9-24/h3-6,8-9,11-12,19-20,23,29H,1,7,10,13-18,21-22H2,2H3
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n/an/a 460n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50449212
PNG
(CHEMBL3127968)
Show SMILES Cn1c(CNCC=C)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C28H37N3O/c1-3-15-29-21-26-19-25-20-27(11-12-28(25)30(26)2)32-18-7-10-23-13-16-31(17-14-23)22-24-8-5-4-6-9-24/h3-6,8-9,11-12,19-20,23,29H,1,7,10,13-18,21-22H2,2H3
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n/an/a 460n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50359391
PNG
(CHEMBL1929421)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3
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n/an/a 460n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50449211
PNG
(CHEMBL3127966)
Show SMILES Cn1c(CN2CCOCC2)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C29H39N3O2/c1-30-27(23-32-15-18-33-19-16-32)20-26-21-28(9-10-29(26)30)34-17-5-8-24-11-13-31(14-12-24)22-25-6-3-2-4-7-25/h2-4,6-7,9-10,20-21,24H,5,8,11-19,22-23H2,1H3
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n/an/a 790n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50449210
PNG
(CHEMBL3127967)
Show SMILES Cn1c(CNCC#C)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C28H35N3O/c1-3-15-29-21-26-19-25-20-27(11-12-28(25)30(26)2)32-18-7-10-23-13-16-31(17-14-23)22-24-8-5-4-6-9-24/h1,4-6,8-9,11-12,19-20,23,29H,7,10,13-18,21-22H2,2H3
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n/an/a 830n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50449210
PNG
(CHEMBL3127967)
Show SMILES Cn1c(CNCC#C)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C28H35N3O/c1-3-15-29-21-26-19-25-20-27(11-12-28(25)30(26)2)32-18-7-10-23-13-16-31(17-14-23)22-24-8-5-4-6-9-24/h1,4-6,8-9,11-12,19-20,23,29H,7,10,13-18,21-22H2,2H3
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n/an/a 830n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(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=1/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 840n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50449209
PNG
(CHEMBL3127978)
Show SMILES Cn1c(CNc2ccccc2)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C31H37N3O/c1-33-29(23-32-28-12-6-3-7-13-28)21-27-22-30(14-15-31(27)33)35-20-8-11-25-16-18-34(19-17-25)24-26-9-4-2-5-10-26/h2-7,9-10,12-15,21-22,25,32H,8,11,16-20,23-24H2,1H3
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n/an/a 849n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50449209
PNG
(CHEMBL3127978)
Show SMILES Cn1c(CNc2ccccc2)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C31H37N3O/c1-33-29(23-32-28-12-6-3-7-13-28)21-27-22-30(14-15-31(27)33)35-20-8-11-25-16-18-34(19-17-25)24-26-9-4-2-5-10-26/h2-7,9-10,12-15,21-22,25,32H,8,11,16-20,23-24H2,1H3
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n/an/a 850n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50449219
PNG
(CHEMBL3124971)
Show SMILES COc1ccc2n(C)c(CNCc3ccccc3)cc2c1
Show InChI InChI=1S/C18H20N2O/c1-20-16(13-19-12-14-6-4-3-5-7-14)10-15-11-17(21-2)8-9-18(15)20/h3-11,19H,12-13H2,1-2H3
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n/an/a 1.52E+4n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50449219
PNG
(CHEMBL3124971)
Show SMILES COc1ccc2n(C)c(CNCc3ccccc3)cc2c1
Show InChI InChI=1S/C18H20N2O/c1-20-16(13-19-12-14-6-4-3-5-7-14)10-15-11-17(21-2)8-9-18(15)20/h3-11,19H,12-13H2,1-2H3
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n/an/a 1.52E+4n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50449219
PNG
(CHEMBL3124971)
Show SMILES COc1ccc2n(C)c(CNCc3ccccc3)cc2c1
Show InChI InChI=1S/C18H20N2O/c1-20-16(13-19-12-14-6-4-3-5-7-14)10-15-11-17(21-2)8-9-18(15)20/h3-11,19H,12-13H2,1-2H3
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n/an/a 2.29E+4n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50449219
PNG
(CHEMBL3124971)
Show SMILES COc1ccc2n(C)c(CNCc3ccccc3)cc2c1
Show InChI InChI=1S/C18H20N2O/c1-20-16(13-19-12-14-6-4-3-5-7-14)10-15-11-17(21-2)8-9-18(15)20/h3-11,19H,12-13H2,1-2H3
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n/an/a 2.29E+4n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50449221
PNG
(CHEMBL3127972)
Show SMILES Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C32H37N3O2/c1-34-30-15-14-29(21-28(30)22-31(34)32(36)33-23-26-9-4-2-5-10-26)37-20-8-13-25-16-18-35(19-17-25)24-27-11-6-3-7-12-27/h2-7,9-12,14-15,21-22,25H,8,13,16-20,23-24H2,1H3,(H,33,36)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50449213
PNG
(CHEMBL3127971)
Show SMILES Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(O)=O
Show InChI InChI=1S/C25H30N2O3/c1-26-23-10-9-22(16-21(23)17-24(26)25(28)29)30-15-5-8-19-11-13-27(14-12-19)18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16-17,19H,5,8,11-15,18H2,1H3,(H,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50449220
PNG
(CHEMBL3127973)
Show SMILES Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C31H35N3O2/c1-33-29-15-14-28(21-26(29)22-30(33)31(35)32-27-12-6-3-7-13-27)36-20-8-11-24-16-18-34(19-17-24)23-25-9-4-2-5-10-25/h2-7,9-10,12-15,21-22,24H,8,11,16-20,23H2,1H3,(H,32,35)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50449222
PNG
(CHEMBL3127969)
Show SMILES COc1ccc2n(C)c(cc2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C18H18N2O2/c1-20-16-9-8-15(22-2)10-14(16)11-17(20)18(21)19-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50449215
PNG
(CHEMBL3127974)
Show SMILES Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H37N3O3/c1-30-27-10-9-26(20-25(27)21-28(30)29(33)32-15-18-34-19-16-32)35-17-5-8-23-11-13-31(14-12-23)22-24-6-3-2-4-7-24/h2-4,6-7,9-10,20-21,23H,5,8,11-19,22H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50449222
PNG
(CHEMBL3127969)
Show SMILES COc1ccc2n(C)c(cc2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C18H18N2O2/c1-20-16-9-8-15(22-2)10-14(16)11-17(20)18(21)19-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50449221
PNG
(CHEMBL3127972)
Show SMILES Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C32H37N3O2/c1-34-30-15-14-29(21-28(30)22-31(34)32(36)33-23-26-9-4-2-5-10-26)37-20-8-13-25-16-18-35(19-17-25)24-27-11-6-3-7-12-27/h2-7,9-12,14-15,21-22,25H,8,13,16-20,23-24H2,1H3,(H,33,36)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50449218
PNG
(CHEMBL3127975)
Show SMILES Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(=O)NCC#C
Show InChI InChI=1S/C28H33N3O2/c1-3-15-29-28(32)27-20-24-19-25(11-12-26(24)30(27)2)33-18-7-10-22-13-16-31(17-14-22)21-23-8-5-4-6-9-23/h1,4-6,8-9,11-12,19-20,22H,7,10,13-18,21H2,2H3,(H,29,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50449217
PNG
(CHEMBL3127976)
Show SMILES Cn1c(CO)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C25H32N2O2/c1-26-23(19-28)16-22-17-24(9-10-25(22)26)29-15-5-8-20-11-13-27(14-12-20)18-21-6-3-2-4-7-21/h2-4,6-7,9-10,16-17,20,28H,5,8,11-15,18-19H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50449216
PNG
(CHEMBL3127970)
Show SMILES CCOC(=O)c1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C27H34N2O3/c1-3-31-27(30)26-19-23-18-24(11-12-25(23)28(26)2)32-17-7-10-21-13-15-29(16-14-21)20-22-8-5-4-6-9-22/h4-6,8-9,11-12,18-19,21H,3,7,10,13-17,20H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...


Eur J Med Chem 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50449220
PNG
(CHEMBL3127973)
Show SMILES Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C31H35N3O2/c1-33-29-15-14-28(21-26(29)22-30(33)31(35)32-27-12-6-3-7-13-27)36-20-8-11-24-16-18-34(19-17-24)23-25-9-4-2-5-10-25/h2-7,9-10,12-15,21-22,24H,8,11,16-20,23H2,1H3,(H,32,35)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratorio de Quimica Medica (IQOG, CSIC)

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 75: 82-95 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.028
BindingDB Entry DOI: 10.7270/Q22R3T4P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%