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PubMed code 27328658

Compile data set for download or QSAR
Found 36 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
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50180622
PNG
(CHEMBL3814519)
Show SMILES OC1=C(CCC\C1=C/c1cccc(OCCN2CCCC2)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H29NO3/c28-25(21-9-2-1-3-10-21)24-13-7-11-22(26(24)29)18-20-8-6-12-23(19-20)30-17-16-27-14-4-5-15-27/h1-3,6,8-10,12,18-19,29H,4-5,7,11,13-17H2/b22-18+
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200n/an/an/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Mixed type inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine iodide as substrate measured after 3...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180621
PNG
(CHEMBL3814621)
Show SMILES OC1=C(CCC\C1=C/c1ccc(OCCN2CCCCC2)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H31NO3/c29-26(22-8-3-1-4-9-22)25-11-7-10-23(27(25)30)20-21-12-14-24(15-13-21)31-19-18-28-16-5-2-6-17-28/h1,3-4,8-9,12-15,20,30H,2,5-7,10-11,16-19H2/b23-20+
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1.90E+3n/an/an/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Mixed type inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 m...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 10n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine iodide as substrate measured after 30 mins by E...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 95n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50180622
PNG
(CHEMBL3814519)
Show SMILES OC1=C(CCC\C1=C/c1cccc(OCCN2CCCC2)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H29NO3/c28-25(21-9-2-1-3-10-21)24-13-7-11-22(26(24)29)18-20-8-6-12-23(19-20)30-17-16-27-14-4-5-15-27/h1-3,6,8-10,12,18-19,29H,4-5,7,11,13-17H2/b22-18+
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n/an/a 600n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine iodide as substrate measured after 30 mins by E...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50180620
PNG
(CHEMBL3814587)
Show SMILES OC1=C(CCC\C1=C/c1cccc(OCCN2CCCCC2)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H31NO3/c29-26(22-10-3-1-4-11-22)25-14-8-12-23(27(25)30)19-21-9-7-13-24(20-21)31-18-17-28-15-5-2-6-16-28/h1,3-4,7,9-11,13,19-20,30H,2,5-6,8,12,14-18H2/b23-19+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine iodide as substrate measured after 30 mins by E...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180621
PNG
(CHEMBL3814621)
Show SMILES OC1=C(CCC\C1=C/c1ccc(OCCN2CCCCC2)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H31NO3/c29-26(22-8-3-1-4-9-22)25-11-7-10-23(27(25)30)20-21-12-14-24(15-13-21)31-19-18-28-16-5-2-6-17-28/h1,3-4,8-9,12-15,20,30H,2,5-7,10-11,16-19H2/b23-20+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180623
PNG
(CHEMBL3814100)
Show SMILES OC1=C(CCC\C1=C/c1ccc(OCCN2CCCC2)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H29NO3/c28-25(21-7-2-1-3-8-21)24-10-6-9-22(26(24)29)19-20-11-13-23(14-12-20)30-18-17-27-15-4-5-16-27/h1-3,7-8,11-14,19,29H,4-6,9-10,15-18H2/b22-19+
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50180623
PNG
(CHEMBL3814100)
Show SMILES OC1=C(CCC\C1=C/c1ccc(OCCN2CCCC2)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H29NO3/c28-25(21-7-2-1-3-8-21)24-10-6-9-22(26(24)29)19-20-11-13-23(14-12-20)30-18-17-27-15-4-5-16-27/h1-3,7-8,11-14,19,29H,4-6,9-10,15-18H2/b22-19+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine iodide as substrate measured after 30 mins by E...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50180621
PNG
(CHEMBL3814621)
Show SMILES OC1=C(CCC\C1=C/c1ccc(OCCN2CCCCC2)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H31NO3/c29-26(22-8-3-1-4-9-22)25-11-7-10-23(27(25)30)20-21-12-14-24(15-13-21)31-19-18-28-16-5-2-6-17-28/h1,3-4,8-9,12-15,20,30H,2,5-7,10-11,16-19H2/b23-20+
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n/an/a 2.70E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine iodide as substrate measured after 30 mins by E...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180620
PNG
(CHEMBL3814587)
Show SMILES OC1=C(CCC\C1=C/c1cccc(OCCN2CCCCC2)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H31NO3/c29-26(22-10-3-1-4-11-22)25-14-8-12-23(27(25)30)19-21-9-7-13-24(20-21)31-18-17-28-15-5-2-6-16-28/h1,3-4,7,9-11,13,19-20,30H,2,5-6,8,12,14-18H2/b23-19+
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n/an/a 3.10E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180622
PNG
(CHEMBL3814519)
Show SMILES OC1=C(CCC\C1=C/c1cccc(OCCN2CCCC2)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H29NO3/c28-25(21-9-2-1-3-10-21)24-13-7-11-22(26(24)29)18-20-8-6-12-23(19-20)30-17-16-27-14-4-5-15-27/h1-3,6,8-10,12,18-19,29H,4-5,7,11,13-17H2/b22-18+
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n/an/a 3.50E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50180626
PNG
(CHEMBL3601745)
Show SMILES OC1=C(CCC\C1=C/c1ccc(O)c(Br)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H17BrO3/c21-17-12-13(9-10-18(17)22)11-15-7-4-8-16(20(15)24)19(23)14-5-2-1-3-6-14/h1-3,5-6,9-12,22,24H,4,7-8H2/b15-11+
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n/an/a 4.70E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine iodide as substrate measured after 30 mins by E...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180616
PNG
(CHEMBL3601747)
Show SMILES OC1=C(CCC\C1=C/c1cccs1)C(=O)c1ccccc1
Show InChI InChI=1S/C18H16O2S/c19-17(13-6-2-1-3-7-13)16-10-4-8-14(18(16)20)12-15-9-5-11-21-15/h1-3,5-7,9,11-12,20H,4,8,10H2/b14-12+
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n/an/a 5.10E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180599
PNG
(CHEMBL3813978)
Show SMILES OC1=C(CCC\C1=C/c1ccc(Cl)cc1Cl)C(=O)c1ccccc1
Show InChI InChI=1S/C20H16Cl2O2/c21-16-10-9-14(18(22)12-16)11-15-7-4-8-17(20(15)24)19(23)13-5-2-1-3-6-13/h1-3,5-6,9-12,24H,4,7-8H2/b15-11+
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n/an/a 5.40E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180598
PNG
(CHEMBL3814375)
Show SMILES OC1=C(CCC\C1=C/c1cccc(Cl)c1Cl)C(=O)c1ccccc1
Show InChI InChI=1S/C20H16Cl2O2/c21-17-11-5-8-14(18(17)22)12-15-9-4-10-16(20(15)24)19(23)13-6-2-1-3-7-13/h1-3,5-8,11-12,24H,4,9-10H2/b15-12+
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n/an/a 5.90E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180617
PNG
(CHEMBL3601748)
Show SMILES Cc1ccc(\C=C2/CCCC(C(=O)c3ccccc3)=C2O)s1
Show InChI InChI=1S/C19H18O2S/c1-13-10-11-16(22-13)12-15-8-5-9-17(19(15)21)18(20)14-6-3-2-4-7-14/h2-4,6-7,10-12,21H,5,8-9H2,1H3/b15-12+
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n/an/a 5.90E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50180624
PNG
(CHEMBL3601736)
Show SMILES OC1=C(CCC\C1=C/c1ccc(O)c(O)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H18O4/c21-17-10-9-13(12-18(17)22)11-15-7-4-8-16(20(15)24)19(23)14-5-2-1-3-6-14/h1-3,5-6,9-12,21-22,24H,4,7-8H2/b15-11+
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n/an/a 6.50E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine iodide as substrate measured after 30 mins by E...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180589
PNG
(CHEMBL3814533)
Show SMILES OC1=C(CCC\C1=C/c1ccccc1F)C(=O)c1ccccc1
Show InChI InChI=1S/C20H17FO2/c21-18-12-5-4-9-15(18)13-16-10-6-11-17(20(16)23)19(22)14-7-2-1-3-8-14/h1-5,7-9,12-13,23H,6,10-11H2/b16-13+
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n/an/a 6.60E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180591
PNG
(CHEMBL3813909)
Show SMILES OC1=C(CCC\C1=C/c1ccc(F)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H17FO2/c21-17-11-9-14(10-12-17)13-16-7-4-8-18(20(16)23)19(22)15-5-2-1-3-6-15/h1-3,5-6,9-13,23H,4,7-8H2/b16-13+
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n/an/a 6.60E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180613
PNG
(CHEMBL3601632)
Show SMILES COc1cccc(\C=C2/CCCC(C(=O)c3ccccc3)=C2O)c1
Show InChI InChI=1S/C21H20O3/c1-24-18-11-5-7-15(14-18)13-17-10-6-12-19(21(17)23)20(22)16-8-3-2-4-9-16/h2-5,7-9,11,13-14,23H,6,10,12H2,1H3/b17-13+
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n/an/a 7.40E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180614
PNG
(CHEMBL3601737)
Show SMILES OC1=C(CCC\C1=C/c1cccc2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C24H20O2/c25-23(18-9-2-1-3-10-18)22-15-7-13-20(24(22)26)16-19-12-6-11-17-8-4-5-14-21(17)19/h1-6,8-12,14,16,26H,7,13,15H2/b20-16+
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n/an/a 7.60E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180597
PNG
(CHEMBL3601636)
Show SMILES OC1=C(CCC\C1=C/c1ccc(Cl)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H17ClO2/c21-17-11-9-14(10-12-17)13-16-7-4-8-18(20(16)23)19(22)15-5-2-1-3-6-15/h1-3,5-6,9-13,23H,4,7-8H2/b16-13+
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n/an/a 7.60E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180618
PNG
(CHEMBL3814765)
Show SMILES OC1=C(CCC\C1=C/c1cccc(Cc2ccccc2)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H24O2/c28-26(23-13-5-2-6-14-23)25-16-8-15-24(27(25)29)19-22-12-7-11-21(18-22)17-20-9-3-1-4-10-20/h1-7,9-14,18-19,29H,8,15-17H2/b24-19+
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n/an/a 7.80E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180596
PNG
(CHEMBL3601634)
Show SMILES OC1=C(CCC\C1=C/c1ccccc1Cl)C(=O)c1ccccc1
Show InChI InChI=1S/C20H17ClO2/c21-18-12-5-4-9-15(18)13-16-10-6-11-17(20(16)23)19(22)14-7-2-1-3-8-14/h1-5,7-9,12-13,23H,6,10-11H2/b16-13+
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n/an/a 8.20E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180615
PNG
(CHEMBL3601738)
Show SMILES OC1=C(CCC\C1=C/c1ccc2ccccc2c1)C(=O)c1ccccc1
Show InChI InChI=1S/C24H20O2/c25-23(19-8-2-1-3-9-19)22-12-6-11-21(24(22)26)16-17-13-14-18-7-4-5-10-20(18)15-17/h1-5,7-10,13-16,26H,6,11-12H2/b21-16+
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n/an/a 8.30E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180593
PNG
(CHEMBL3815025)
Show SMILES OC1=C(CCC\C1=C/c1ccccc1Br)C(=O)c1ccccc1
Show InChI InChI=1S/C20H17BrO2/c21-18-12-5-4-9-15(18)13-16-10-6-11-17(20(16)23)19(22)14-7-2-1-3-8-14/h1-5,7-9,12-13,23H,6,10-11H2/b16-13+
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n/an/a 8.40E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180619
PNG
(CHEMBL3813797)
Show SMILES OC1=C(CCC\C1=C/c1ccc(Cc2ccccc2)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H24O2/c28-26(23-10-5-2-6-11-23)25-13-7-12-24(27(25)29)19-22-16-14-21(15-17-22)18-20-8-3-1-4-9-20/h1-6,8-11,14-17,19,29H,7,12-13,18H2/b24-19+
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n/an/a 8.40E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180612
PNG
(CHEMBL3814991)
Show SMILES Cc1ccc(\C=C2/CCCC(C(=O)c3ccccc3)=C2O)cc1
Show InChI InChI=1S/C21H20O2/c1-15-10-12-16(13-11-15)14-18-8-5-9-19(21(18)23)20(22)17-6-3-2-4-7-17/h2-4,6-7,10-14,23H,5,8-9H2,1H3/b18-14+
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n/an/a 8.50E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180611
PNG
(CHEMBL3813809)
Show SMILES Cc1cccc(\C=C2/CCCC(C(=O)c3ccccc3)=C2O)c1
Show InChI InChI=1S/C21H20O2/c1-15-7-5-8-16(13-15)14-18-11-6-12-19(21(18)23)20(22)17-9-3-2-4-10-17/h2-5,7-10,13-14,23H,6,11-12H2,1H3/b18-14+
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n/an/a 8.60E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180592
PNG
(CHEMBL3814230)
Show SMILES OC1=C(CCC\C1=C/c1ccc(F)c(F)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H16F2O2/c21-17-10-9-13(12-18(17)22)11-15-7-4-8-16(20(15)24)19(23)14-5-2-1-3-6-14/h1-3,5-6,9-12,24H,4,7-8H2/b15-11+
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n/an/a 8.70E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180594
PNG
(CHEMBL3814476)
Show SMILES OC1=C(CCC\C1=C/c1ccc(Br)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H17BrO2/c21-17-11-9-14(10-12-17)13-16-7-4-8-18(20(16)23)19(22)15-5-2-1-3-6-15/h1-3,5-6,9-13,23H,4,7-8H2/b16-13+
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n/an/a 8.70E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180595
PNG
(CHEMBL3813840)
Show SMILES OC1=C(CCC\C1=C/c1ccc(Br)c(Br)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H16Br2O2/c21-17-10-9-13(12-18(17)22)11-15-7-4-8-16(20(15)24)19(23)14-5-2-1-3-6-14/h1-3,5-6,9-12,24H,4,7-8H2/b15-11+
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n/an/a 9.00E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180590
PNG
(CHEMBL3601749)
Show SMILES OC1=C(CCC\C1=C/c1cccc(F)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H17FO2/c21-17-10-4-6-14(13-17)12-16-9-5-11-18(20(16)23)19(22)15-7-2-1-3-8-15/h1-4,6-8,10,12-13,23H,5,9,11H2/b16-12+
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n/an/a 9.70E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180600
PNG
(CHEMBL3814228)
Show SMILES OC1=C(CCC\C1=C/c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H16Cl2O2/c21-17-10-9-13(12-18(17)22)11-15-7-4-8-16(20(15)24)19(23)14-5-2-1-3-6-14/h1-3,5-6,9-12,24H,4,7-8H2/b15-11+
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n/an/a 9.80E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50180625
PNG
(CHEMBL3601744)
Show SMILES OC1=C(CCC\C1=C/c1ccc(O)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H17ClO3/c21-17-12-13(9-10-18(17)22)11-15-7-4-8-16(20(15)24)19(23)14-5-2-1-3-6-14/h1-3,5-6,9-12,22,24H,4,7-8H2/b15-11+
PDB

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n/an/a 1.06E+4n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine iodide as substrate measured after 30 mins by E...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%