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PubMed code 21211982

Compile data set for download or QSAR
Found 30 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
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50333767
PNG
(CHEMBL1644288 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...)
Show SMILES COc1cc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C29H39N3O3/c1-33-26-18-21(19-27(34-2)29(26)35-3)20-30-16-10-4-5-11-17-31-28-22-12-6-8-14-24(22)32-25-15-9-7-13-23(25)28/h6,8,12,14,18-19,30H,4-5,7,9-11,13,15-17,20H2,1-3H3,(H,31,32)
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n/an/a 2.59n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50333763
PNG
(CHEMBL1644292 | N1-(3,4-Dimethoxybenzyl)-N6-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C28H37N3O2/c1-32-26-16-15-21(19-27(26)33-2)20-29-17-9-3-4-10-18-30-28-22-11-5-7-13-24(22)31-25-14-8-6-12-23(25)28/h5,7,11,13,15-16,19,29H,3-4,6,8-10,12,14,17-18,20H2,1-2H3,(H,30,31)
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n/an/a 2.68n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50333765
PNG
(CHEMBL1644290 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...)
Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C31H43N3O3/c1-35-28-20-23(21-29(36-2)31(28)37-3)22-32-18-12-6-4-5-7-13-19-33-30-24-14-8-10-16-26(24)34-27-17-11-9-15-25(27)30/h8,10,14,16,20-21,32H,4-7,9,11-13,15,17-19,22H2,1-3H3,(H,33,34)
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n/an/a 3.38n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50333766
PNG
(CHEMBL1644289 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...)
Show SMILES COc1cc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C30H41N3O3/c1-34-27-19-22(20-28(35-2)30(27)36-3)21-31-17-11-5-4-6-12-18-32-29-23-13-7-9-15-25(23)33-26-16-10-8-14-24(26)29/h7,9,13,15,19-20,31H,4-6,8,10-12,14,16-18,21H2,1-3H3,(H,32,33)
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n/an/a 3.55n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50333764
PNG
(CHEMBL1644291 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...)
Show SMILES COc1cc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C32H45N3O3/c1-36-29-21-24(22-30(37-2)32(29)38-3)23-33-19-13-7-5-4-6-8-14-20-34-31-25-15-9-11-17-27(25)35-28-18-12-10-16-26(28)31/h9,11,15,17,21-22,33H,4-8,10,12-14,16,18-20,23H2,1-3H3,(H,34,35)
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n/an/a 4.73n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50333771
PNG
(CHEMBL1644284 | N1-((7-Methoxybenzo[d][1,3]dioxol-...)
Show SMILES COc1cc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
Show InChI InChI=1S/C28H35N3O3/c1-32-25-16-20(17-26-28(25)34-19-33-26)18-29-14-8-2-3-9-15-30-27-21-10-4-6-12-23(21)31-24-13-7-5-11-22(24)27/h4,6,10,12,16-17,29H,2-3,5,7-9,11,13-15,18-19H2,1H3,(H,30,31)
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n/an/a 5.19n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50333762
PNG
(CHEMBL1644293 | N1-(3,4-Dimethoxybenzyl)-N7-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C29H39N3O2/c1-33-27-17-16-22(20-28(27)34-2)21-30-18-10-4-3-5-11-19-31-29-23-12-6-8-14-25(23)32-26-15-9-7-13-24(26)29/h6,8,12,14,16-17,20,30H,3-5,7,9-11,13,15,18-19,21H2,1-2H3,(H,31,32)
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n/an/a 5.51n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50333761
PNG
(CHEMBL1644294 | N1-(3,4-Dimethoxybenzyl)-N8-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C30H41N3O2/c1-34-28-18-17-23(21-29(28)35-2)22-31-19-11-5-3-4-6-12-20-32-30-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)30/h7,9,13,15,17-18,21,31H,3-6,8,10-12,14,16,19-20,22H2,1-2H3,(H,32,33)
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n/an/a 5.57n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50333760
PNG
(CHEMBL1644295 | N1-(3,4-Dimethoxybenzyl)-N9-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C31H43N3O2/c1-35-29-19-18-24(22-30(29)36-2)23-32-20-12-6-4-3-5-7-13-21-33-31-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)31/h8,10,14,16,18-19,22,32H,3-7,9,11-13,15,17,20-21,23H2,1-2H3,(H,33,34)
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n/an/a 5.67n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50333769
PNG
(CHEMBL1644286 | N1-((7-Methoxybenzo[d][1,3]dioxol-...)
Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
Show InChI InChI=1S/C30H39N3O3/c1-34-27-18-22(19-28-30(27)36-21-35-28)20-31-16-10-4-2-3-5-11-17-32-29-23-12-6-8-14-25(23)33-26-15-9-7-13-24(26)29/h6,8,12,14,18-19,31H,2-5,7,9-11,13,15-17,20-21H2,1H3,(H,32,33)
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n/an/a 7.94n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50333769
PNG
(CHEMBL1644286 | N1-((7-Methoxybenzo[d][1,3]dioxol-...)
Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
Show InChI InChI=1S/C30H39N3O3/c1-34-27-18-22(19-28-30(27)36-21-35-28)20-31-16-10-4-2-3-5-11-17-32-29-23-12-6-8-14-25(23)33-26-15-9-7-13-24(26)29/h6,8,12,14,18-19,31H,2-5,7,9-11,13,15-17,20-21H2,1H3,(H,32,33)
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n/an/a 7.98n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50333770
PNG
(CHEMBL1644285 | N1-((7-Methoxybenzo[d][1,3]dioxol-...)
Show SMILES COc1cc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
Show InChI InChI=1S/C29H37N3O3/c1-33-26-17-21(18-27-29(26)35-20-34-27)19-30-15-9-3-2-4-10-16-31-28-22-11-5-7-13-24(22)32-25-14-8-6-12-23(25)28/h5,7,11,13,17-18,30H,2-4,6,8-10,12,14-16,19-20H2,1H3,(H,31,32)
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n/an/a 9.73n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50333765
PNG
(CHEMBL1644290 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...)
Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C31H43N3O3/c1-35-28-20-23(21-29(36-2)31(28)37-3)22-32-18-12-6-4-5-7-13-19-33-30-24-14-8-10-16-26(24)34-27-17-11-9-15-25(27)30/h8,10,14,16,20-21,32H,4-7,9,11-13,15,17-19,22H2,1-3H3,(H,33,34)
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n/an/a 9.77n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50333761
PNG
(CHEMBL1644294 | N1-(3,4-Dimethoxybenzyl)-N8-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C30H41N3O2/c1-34-28-18-17-23(21-29(28)35-2)22-31-19-11-5-3-4-6-12-20-32-30-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)30/h7,9,13,15,17-18,21,31H,3-6,8,10-12,14,16,19-20,22H2,1-2H3,(H,32,33)
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n/an/a 11.3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50333768
PNG
(CHEMBL1644287 | N1-((7-Methoxybenzo[d][1,3]dioxol-...)
Show SMILES COc1cc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
Show InChI InChI=1S/C31H41N3O3/c1-35-28-19-23(20-29-31(28)37-22-36-29)21-32-17-11-5-3-2-4-6-12-18-33-30-24-13-7-9-15-26(24)34-27-16-10-8-14-25(27)30/h7,9,13,15,19-20,32H,2-6,8,10-12,14,16-18,21-22H2,1H3,(H,33,34)
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n/an/a 11.4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50333766
PNG
(CHEMBL1644289 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...)
Show SMILES COc1cc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C30H41N3O3/c1-34-27-19-22(20-28(35-2)30(27)36-3)21-31-17-11-5-4-6-12-18-32-29-23-13-7-9-15-25(23)33-26-16-10-8-14-24(26)29/h7,9,13,15,19-20,31H,4-6,8,10-12,14,16-18,21H2,1-3H3,(H,32,33)
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n/an/a 17.3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50333770
PNG
(CHEMBL1644285 | N1-((7-Methoxybenzo[d][1,3]dioxol-...)
Show SMILES COc1cc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
Show InChI InChI=1S/C29H37N3O3/c1-33-26-17-21(18-27-29(26)35-20-34-27)19-30-15-9-3-2-4-10-16-31-28-22-11-5-7-13-24(22)32-25-14-8-6-12-23(25)28/h5,7,11,13,17-18,30H,2-4,6,8-10,12,14-16,19-20H2,1H3,(H,31,32)
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n/an/a 18.4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50333768
PNG
(CHEMBL1644287 | N1-((7-Methoxybenzo[d][1,3]dioxol-...)
Show SMILES COc1cc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
Show InChI InChI=1S/C31H41N3O3/c1-35-28-19-23(20-29-31(28)37-22-36-29)21-32-17-11-5-3-2-4-6-12-18-33-30-24-13-7-9-15-26(24)34-27-16-10-8-14-25(27)30/h7,9,13,15,19-20,32H,2-6,8,10-12,14,16-18,21-22H2,1H3,(H,33,34)
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n/an/a 18.7n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50333764
PNG
(CHEMBL1644291 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...)
Show SMILES COc1cc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C32H45N3O3/c1-36-29-21-24(22-30(37-2)32(29)38-3)23-33-19-13-7-5-4-6-8-14-20-34-31-25-15-9-11-17-27(25)35-28-18-12-10-16-26(28)31/h9,11,15,17,21-22,33H,4-8,10,12-14,16,18-20,23H2,1-3H3,(H,34,35)
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n/an/a 20.2n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50333771
PNG
(CHEMBL1644284 | N1-((7-Methoxybenzo[d][1,3]dioxol-...)
Show SMILES COc1cc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
Show InChI InChI=1S/C28H35N3O3/c1-32-25-16-20(17-26-28(25)34-19-33-26)18-29-14-8-2-3-9-15-30-27-21-10-4-6-12-23(21)31-24-13-7-5-11-22(24)27/h4,6,10,12,16-17,29H,2-3,5,7-9,11,13-15,18-19H2,1H3,(H,30,31)
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n/an/a 20.5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50333767
PNG
(CHEMBL1644288 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...)
Show SMILES COc1cc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C29H39N3O3/c1-33-26-18-21(19-27(34-2)29(26)35-3)20-30-16-10-4-5-11-17-31-28-22-12-6-8-14-24(22)32-25-15-9-7-13-23(25)28/h6,8,12,14,18-19,30H,4-5,7,9-11,13,15-17,20H2,1-3H3,(H,31,32)
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n/an/a 22.4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50333762
PNG
(CHEMBL1644293 | N1-(3,4-Dimethoxybenzyl)-N7-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C29H39N3O2/c1-33-27-17-16-22(20-28(27)34-2)21-30-18-10-4-3-5-11-19-31-29-23-12-6-8-14-25(23)32-26-15-9-7-13-24(26)29/h6,8,12,14,16-17,20,30H,3-5,7,9-11,13,15,18-19,21H2,1-2H3,(H,31,32)
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n/an/a 24.0n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50333760
PNG
(CHEMBL1644295 | N1-(3,4-Dimethoxybenzyl)-N9-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C31H43N3O2/c1-35-29-19-18-24(22-30(29)36-2)23-32-20-12-6-4-3-5-7-13-21-33-31-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)31/h8,10,14,16,18-19,22,32H,3-7,9,11-13,15,17,20-21,23H2,1-2H3,(H,33,34)
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n/an/a 25.1n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(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 27.1n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50333772
PNG
(CHEMBL1644283 | N1-((7-Methoxybenzo[d][1,3]dioxol-...)
Show SMILES COc1cc(CNCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
Show InChI InChI=1S/C27H33N3O3/c1-31-24-15-19(16-25-27(24)33-18-32-25)17-28-13-7-2-8-14-29-26-20-9-3-5-11-22(20)30-23-12-6-4-10-21(23)26/h3,5,9,11,15-16,28H,2,4,6-8,10,12-14,17-18H2,1H3,(H,29,30)
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n/an/a 29.8n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50333763
PNG
(CHEMBL1644292 | N1-(3,4-Dimethoxybenzyl)-N6-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C28H37N3O2/c1-32-26-16-15-21(19-27(26)33-2)20-29-17-9-3-4-10-18-30-28-22-11-5-7-13-24(22)31-25-14-8-6-12-23(25)28/h5,7,11,13,15-16,19,29H,3-4,6,8-10,12,14,17-18,20H2,1-2H3,(H,30,31)
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n/an/a 30.9n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50333773
PNG
(CHEMBL1644282 | N1-((7-Methoxybenzo[d][1,3]dioxol-...)
Show SMILES COc1cc(CNCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
Show InChI InChI=1S/C26H31N3O3/c1-30-23-14-18(15-24-26(23)32-17-31-24)16-27-12-6-7-13-28-25-19-8-2-4-10-21(19)29-22-11-5-3-9-20(22)25/h2,4,8,10,14-15,27H,3,5-7,9,11-13,16-17H2,1H3,(H,28,29)
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n/an/a 46.3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50333772
PNG
(CHEMBL1644283 | N1-((7-Methoxybenzo[d][1,3]dioxol-...)
Show SMILES COc1cc(CNCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
Show InChI InChI=1S/C27H33N3O3/c1-31-24-15-19(16-25-27(24)33-18-32-25)17-28-13-7-2-8-14-29-26-20-9-3-5-11-22(20)30-23-12-6-4-10-21(23)26/h3,5,9,11,15-16,28H,2,4,6-8,10,12-14,17-18H2,1H3,(H,29,30)
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n/an/a 78.5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50333773
PNG
(CHEMBL1644282 | N1-((7-Methoxybenzo[d][1,3]dioxol-...)
Show SMILES COc1cc(CNCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
Show InChI InChI=1S/C26H31N3O3/c1-30-23-14-18(15-24-26(23)32-17-31-24)16-27-12-6-7-13-28-25-19-8-2-4-10-21(19)29-22-11-5-3-9-20(22)25/h2,4,8,10,14-15,27H,3,5-7,9,11-13,16-17H2,1H3,(H,28,29)
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n/an/a 113n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
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 193n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%