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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=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 13n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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=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 840n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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 Qu�mica M�dica (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%