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Compile Data Set for Download or QSAR

Found 532 hits with Last Name = 'huang' and Initial = 'sl'   
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))		BDBM50293451
PNG
(1-Methyl-1-[2-(7-oxo-7H-1-aza-benzo[de]anthracen-9...)
Show SMILES C[N+]1(CCC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCCC1
Show InChI InChI=1S/C25H25N3O2/c1-28(13-3-2-4-14-28)15-11-22(29)27-18-8-9-19-21(16-18)25(30)20-7-5-6-17-10-12-26-24(19)23(17)20/h5-10,12,16H,2-4,11,13-15H2,1H3/p+1
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 0.310n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by LB plot

Eur J Med Chem 44: 2523-32 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.021
BindingDB Entry DOI: 10.7270/Q2Z89CFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50293452
PNG
(1-methyl-1-(3-(7-oxo-7H-dibenzo[de,g]quinoline-4-c...)
Show SMILES C[N+]1(CCCNC(=O)c2cnc3C(=O)c4ccccc4-c4cccc2c34)CCCCC1
Show InChI InChI=1S/C26H27N3O2/c1-29(14-5-2-6-15-29)16-8-13-27-26(31)22-17-28-24-23-19(11-7-12-20(22)23)18-9-3-4-10-21(18)25(24)30/h3-4,7,9-12,17H,2,5-6,8,13-16H2,1H3/p+1
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 110n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by LB plot

Eur J Med Chem 44: 2523-32 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.021
BindingDB Entry DOI: 10.7270/Q2Z89CFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50211247
PNG
(9-Amino-1-azabenzanthrone | 9-amino-1-aza-benzo[de...)
Show SMILES Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C16H10N2O/c17-10-4-5-11-13(8-10)16(19)12-3-1-2-9-6-7-18-15(11)14(9)12/h1-8H,17H2
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 3.86E+3n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by LB plot

Eur J Med Chem 44: 2523-32 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.021
BindingDB Entry DOI: 10.7270/Q2Z89CFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50293443
PNG
(7-Oxo-7H-dibenzo[de,g]quinoline | CHEMBL559502)
Show SMILES O=C1c2ccccc2-c2cccc3ccnc1c23
Show InChI InChI=1S/C16H9NO/c18-16-13-6-2-1-5-11(13)12-7-3-4-10-8-9-17-15(16)14(10)12/h1-9H
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 1.46E+4n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by LB plot

Eur J Med Chem 44: 2523-32 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.021
BindingDB Entry DOI: 10.7270/Q2Z89CFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50293451
PNG
(1-Methyl-1-[2-(7-oxo-7H-1-aza-benzo[de]anthracen-9...)
Show SMILES C[N+]1(CCC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCCC1
Show InChI InChI=1S/C25H25N3O2/c1-28(13-3-2-4-14-28)15-11-22(29)27-18-8-9-19-21(16-18)25(30)20-7-5-6-17-10-12-26-24(19)23(17)20/h5-10,12,16H,2-4,11,13-15H2,1H3/p+1
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n/an/a 0.480n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


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

Eur J Med Chem 44: 2523-32 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.021
BindingDB Entry DOI: 10.7270/Q2Z89CFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433027
PNG
(CHEMBL2375941)
Show SMILES Fc1ccc[n+](CC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)c1
Show InChI InChI=1S/C25H16FN5O2/c26-15-4-3-10-30(13-15)14-22(32)27-16-7-8-21-19(12-16)25(33)31-11-9-18-17-5-1-2-6-20(17)28-23(18)24(31)29-21/h1-13H,14H2,(H-,27,28,29,32,33)/p+1
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n/an/a 0.600n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433028
PNG
(CHEMBL2375940)
Show SMILES O=C(C[n+]1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C25H17N5O2/c31-22(15-29-11-4-1-5-12-29)26-16-8-9-21-19(14-16)25(32)30-13-10-18-17-6-2-3-7-20(17)27-23(18)24(30)28-21/h1-14H,15H2,(H-,26,27,28,31,32)/p+1
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n/an/a 0.800n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50211239
PNG
(1-methyl-1-[2-(7-oxo-7H-1-aza-benzo[de]anthracen-9...)
Show SMILES C[N+]1(CCC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1
Show InChI InChI=1S/C24H23N3O2/c1-27(12-2-3-13-27)14-10-21(28)26-17-7-8-18-20(15-17)24(29)19-6-4-5-16-9-11-25-23(18)22(16)19/h4-9,11,15H,2-3,10,12-14H2,1H3/p+1
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n/an/a 1.06n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50211252
PNG
(1-methyl-1-[(7-oxo-7H-1-aza-benzo[de]anthracen-9-y...)
Show SMILES C[N+]1(CC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1
Show InChI InChI=1S/C23H21N3O2/c1-26(11-2-3-12-26)14-20(27)25-16-7-8-17-19(13-16)23(28)18-6-4-5-15-9-10-24-22(17)21(15)18/h4-10,13H,2-3,11-12,14H2,1H3/p+1
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n/an/a 1.08n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433018
PNG
(CHEMBL2375923)
Show SMILES Fc1ccc[n+](CCC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)c1
Show InChI InChI=1S/C26H18FN5O2/c27-16-4-3-11-31(15-16)12-10-23(33)28-17-7-8-22-20(14-17)26(34)32-13-9-19-18-5-1-2-6-21(18)29-24(19)25(32)30-22/h1-9,11,13-15H,10,12H2,(H-,28,29,30,33,34)/p+1
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n/an/a 2.10n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433019
PNG
(CHEMBL2375922)
Show SMILES O=C(CC[n+]1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C26H19N5O2/c32-23(11-14-30-12-4-1-5-13-30)27-17-8-9-22-20(16-17)26(33)31-15-10-19-18-6-2-3-7-21(18)28-24(19)25(31)29-22/h1-10,12-13,15-16H,11,14H2,(H-,27,28,29,32,33)/p+1
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n/an/a 2.30n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50211241
PNG
(9-[3-Pyrrolidinopropionamido]-1-azabenzanthrone | ...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C23H21N3O2/c27-20(9-13-26-11-1-2-12-26)25-16-6-7-17-19(14-16)23(28)18-5-3-4-15-8-10-24-22(17)21(15)18/h3-8,10,14H,1-2,9,11-13H2,(H,25,27)
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n/an/a 2.47n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50211250
PNG
(1-methyl-1-[3-(7-oxo-7H-1-aza-benzo[de]anthracen-9...)
Show SMILES C[N+]1(CCCC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1
Show InChI InChI=1S/C25H25N3O2/c1-28(13-2-3-14-28)15-5-8-22(29)27-18-9-10-19-21(16-18)25(30)20-7-4-6-17-11-12-26-24(19)23(17)20/h4,6-7,9-12,16H,2-3,5,8,13-15H2,1H3/p+1
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n/an/a 2.51n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50293446
PNG
(CHEMBL556249 | Diethyl-methyl-[2-(7-oxo-7H-1-aza-b...)
Show SMILES CC[N+](C)(CC)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C24H25N3O2/c1-4-27(3,5-2)14-12-21(28)26-17-9-10-18-20(15-17)24(29)19-8-6-7-16-11-13-25-23(18)22(16)19/h6-11,13,15H,4-5,12,14H2,1-3H3/p+1
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n/an/a 2.62n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


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

Eur J Med Chem 44: 2523-32 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.021
BindingDB Entry DOI: 10.7270/Q2Z89CFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50371216
PNG
(CHEMBL554252)
Show SMILES CC[N+](C)(CC)CCCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C25H27N3O2/c1-4-28(3,5-2)15-7-10-22(29)27-18-11-12-19-21(16-18)25(30)20-9-6-8-17-13-14-26-24(19)23(17)20/h6,8-9,11-14,16H,4-5,7,10,15H2,1-3H3/p+1
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n/an/a 2.62n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433022
PNG
(CHEMBL2375919)
Show SMILES O=C(COc1cccnc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C25H17N5O3/c31-22(14-33-16-4-3-10-26-13-16)27-15-7-8-21-19(12-15)25(32)30-11-9-18-17-5-1-2-6-20(17)28-23(18)24(30)29-21/h1-13,28H,14H2,(H,27,31)
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n/an/a 3.10n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50353684
PNG
(CHEMBL1830627)
Show SMILES O=C(CCNCCNc1c2CCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C34H31N5O2/c40-30(15-16-35-18-19-37-32-24-7-1-3-10-28(24)39-29-11-4-2-8-25(29)32)38-22-12-13-23-27(20-22)34(41)26-9-5-6-21-14-17-36-33(23)31(21)26/h1,3,5-7,9-10,12-14,17,20,35H,2,4,8,11,15-16,18-19H2,(H,37,39)(H,38,40)
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n/an/a 3.40n/an/an/an/an/an/a



Guangxi Normal University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method

Eur J Med Chem 46: 4970-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.002
BindingDB Entry DOI: 10.7270/Q20C4W5X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50345200
PNG
(2-Methoxy-4-((8-(1,2,3,4-tetrahydroacridin-9-ylami...)
Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C29H39N3O2/c1-34-28-20-22(16-17-27(28)33)21-30-18-10-4-2-3-5-11-19-31-29-23-12-6-8-14-25(23)32-26-15-9-7-13-24(26)29/h6,8,12,14,16-17,20,30,33H,2-5,7,9-11,13,15,18-19,21H2,1H3,(H,31,32)
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n/an/a 3.41n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...

Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50345205
PNG
(CHEMBL1783241 | N1-(Benzo[d][1,3]dioxol-5-ylmethyl...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNCc1ccc2OCOc2c1
Show InChI InChI=1S/C29H37N3O2/c1(3-9-17-30-20-22-15-16-27-28(19-22)34-21-33-27)2-4-10-18-31-29-23-11-5-7-13-25(23)32-26-14-8-6-12-24(26)29/h5,7,11,13,15-16,19,30H,1-4,6,8-10,12,14,17-18,20-21H2,(H,31,32)
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n/an/a 3.44n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...

Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433005
PNG
(CHEMBL2375936)
Show SMILES O=C(CCC[n+]1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C27H21N5O2/c33-24(9-6-15-31-13-4-1-5-14-31)28-18-10-11-23-21(17-18)27(34)32-16-12-20-19-7-2-3-8-22(19)29-25(20)26(32)30-23/h1-5,7-8,10-14,16-17H,6,9,15H2,(H-,28,29,30,33,34)/p+1
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n/an/a 3.90n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50345201
PNG
(2,6-Dimethoxy-4-((8-(1,2,3,4-tetrahydroacridin-9-y...)
Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1O
Show InChI InChI=1S/C30H41N3O3/c1-35-27-19-22(20-28(36-2)30(27)34)21-31-17-11-5-3-4-6-12-18-32-29-23-13-7-9-15-25(23)33-26-16-10-8-14-24(26)29/h7,9,13,15,19-20,31,34H,3-6,8,10-12,14,16-18,21H2,1-2H3,(H,32,33)
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n/an/a 4.08n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...

Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50345200
PNG
(2-Methoxy-4-((8-(1,2,3,4-tetrahydroacridin-9-ylami...)
Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C29H39N3O2/c1-34-28-20-22(16-17-27(28)33)21-30-18-10-4-2-3-5-11-19-31-29-23-12-6-8-14-25(23)32-26-15-9-7-13-24(26)29/h6,8,12,14,16-17,20,30,33H,2-5,7,9-11,13,15,18-19,21H2,1H3,(H,31,32)
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n/an/a 4.55n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as inhibition of acetylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...

Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50345201
PNG
(2,6-Dimethoxy-4-((8-(1,2,3,4-tetrahydroacridin-9-y...)
Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1O
Show InChI InChI=1S/C30H41N3O3/c1-35-27-19-22(20-28(36-2)30(27)34)21-31-17-11-5-3-4-6-12-18-32-29-23-13-7-9-15-25(23)33-26-16-10-8-14-24(26)29/h7,9,13,15,19-20,31,34H,3-6,8,10-12,14,16-18,21H2,1-2H3,(H,32,33)
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n/an/a 4.61n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as inhibition of acetylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...

Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50345206
PNG
(CHEMBL1783242 | N1-(Pyridin-4-ylmethyl)-N8-(1,2,3,...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNCc1ccncc1
Show InChI InChI=1S/C27H36N4/c1(3-9-17-29-21-22-15-19-28-20-16-22)2-4-10-18-30-27-23-11-5-7-13-25(23)31-26-14-8-6-12-24(26)27/h5,7,11,13,15-16,19-20,29H,1-4,6,8-10,12,14,17-18,21H2,(H,30,31)
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n/an/a 4.66n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...

Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50345206
PNG
(CHEMBL1783242 | N1-(Pyridin-4-ylmethyl)-N8-(1,2,3,...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNCc1ccncc1
Show InChI InChI=1S/C27H36N4/c1(3-9-17-29-21-22-15-19-28-20-16-22)2-4-10-18-30-27-23-11-5-7-13-25(23)31-26-14-8-6-12-24(26)27/h5,7,11,13,15-16,19-20,29H,1-4,6,8-10,12,14,17-18,21H2,(H,30,31)
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n/an/a 4.70n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as inhibition of acetylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...

Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50211253
PNG
(CHEMBL245668 | trimethyl-[3-(7-oxo-7H-1-aza-benzo[...)
Show SMILES C[N+](C)(C)CCCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C23H23N3O2/c1-26(2,3)13-5-8-20(27)25-16-9-10-17-19(14-16)23(28)18-7-4-6-15-11-12-24-22(17)21(15)18/h4,6-7,9-12,14H,5,8,13H2,1-3H3/p+1
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n/an/a 4.79n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50211244
PNG
(CHEMBL395926 | Trimethyl-[2-(7-oxo-7H-1-aza-benzo[...)
Show SMILES C[N+](C)(C)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C22H21N3O2/c1-25(2,3)12-10-19(26)24-15-7-8-16-18(13-15)22(27)17-6-4-5-14-9-11-23-21(16)20(14)17/h4-9,11,13H,10,12H2,1-3H3/p+1
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n/an/a 4.81n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


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

Eur J Med Chem 44: 2523-32 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.021
BindingDB Entry DOI: 10.7270/Q2Z89CFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50211244
PNG
(CHEMBL395926 | Trimethyl-[2-(7-oxo-7H-1-aza-benzo[...)
Show SMILES C[N+](C)(C)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C22H21N3O2/c1-25(2,3)12-10-19(26)24-15-7-8-16-18(13-15)22(27)17-6-4-5-14-9-11-23-21(16)20(14)17/h4-9,11,13H,10,12H2,1-3H3/p+1
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n/an/a 4.81n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50345204
PNG
(CHEMBL1783240 | N1-(4-Methoxybenzyl)-N8-(1,2,3,4-t...)
Show SMILES COc1ccc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C29H39N3O/c1-33-24-18-16-23(17-19-24)22-30-20-10-4-2-3-5-11-21-31-29-25-12-6-8-14-27(25)32-28-15-9-7-13-26(28)29/h6,8,12,14,16-19,30H,2-5,7,9-11,13,15,20-22H2,1H3,(H,31,32)
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n/an/a 4.82n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...

Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50345202
PNG
(3-((8-(1,2,3,4-Tetrahydroacridin-9-ylamino)octylam...)
Show SMILES Oc1cccc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)c1
Show InChI InChI=1S/C28H37N3O/c32-23-13-11-12-22(20-23)21-29-18-9-3-1-2-4-10-19-30-28-24-14-5-7-16-26(24)31-27-17-8-6-15-25(27)28/h5,7,11-14,16,20,29,32H,1-4,6,8-10,15,17-19,21H2,(H,30,31)
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n/an/a 4.91n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...

Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
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
Cholinesterase


(Equus caballus (Horse))		BDBM50345199
PNG
(4-((8-(1,2,3,4-Tetrahydroacridin-9-ylamino)octylam...)
Show SMILES Oc1ccc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C28H37N3O/c32-23-17-15-22(16-18-23)21-29-19-9-3-1-2-4-10-20-30-28-24-11-5-7-13-26(24)31-27-14-8-6-12-25(27)28/h5,7,11,13,15-18,29,32H,1-4,6,8-10,12,14,19-21H2,(H,30,31)
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n/an/a 5.31n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...

Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50345205
PNG
(CHEMBL1783241 | N1-(Benzo[d][1,3]dioxol-5-ylmethyl...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNCc1ccc2OCOc2c1
Show InChI InChI=1S/C29H37N3O2/c1(3-9-17-30-20-22-15-16-27-28(19-22)34-21-33-27)2-4-10-18-31-29-23-11-5-7-13-25(23)32-26-14-8-6-12-24(26)29/h5,7,11,13,15-16,19,30H,1-4,6,8-10,12,14,17-18,20-21H2,(H,31,32)
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n/an/a 6.14n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as inhibition of acetylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...

Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50211254
PNG
(9-(Pyrrolidinoacetamido)-1-azabenzanthrone | CHEMB...)
Show SMILES O=C(CN1CCCC1)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C22H19N3O2/c26-19(13-25-10-1-2-11-25)24-15-6-7-16-18(12-15)22(27)17-5-3-4-14-8-9-23-21(16)20(14)17/h3-9,12H,1-2,10-11,13H2,(H,24,26)
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n/an/a 6.18n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50345199
PNG
(4-((8-(1,2,3,4-Tetrahydroacridin-9-ylamino)octylam...)
Show SMILES Oc1ccc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C28H37N3O/c32-23-17-15-22(16-18-23)21-29-19-9-3-1-2-4-10-20-30-28-24-11-5-7-13-26(24)31-27-14-8-6-12-25(27)28/h5,7,11,13,15-18,29,32H,1-4,6,8-10,12,14,19-21H2,(H,30,31)
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n/an/a 7.48n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as inhibition of acetylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...

Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50345197
PNG
(4-((6-(1,2,3,4-Tetrahydroacridin-9-ylamino)hexylam...)
Show SMILES Oc1ccc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C26H33N3O/c30-21-15-13-20(14-16-21)19-27-17-7-1-2-8-18-28-26-22-9-3-5-11-24(22)29-25-12-6-4-10-23(25)26/h3,5,9,11,13-16,27,30H,1-2,4,6-8,10,12,17-19H2,(H,28,29)
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n/an/a 7.5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...

Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433026
PNG
(CHEMBL2375942)
Show SMILES Cn1cc[n+](CC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)c1
Show InChI InChI=1S/C24H18N6O2/c1-28-10-11-29(14-28)13-21(31)25-15-6-7-20-18(12-15)24(32)30-9-8-17-16-4-2-3-5-19(16)26-22(17)23(30)27-20/h2-12,14H,13H2,1H3,(H-,25,26,27,31,32)/p+1
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n/an/a 8n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50345198
PNG
(2-Methoxy-4-((6-(1,2,3,4-tetrahydroacridin-9-ylami...)
Show SMILES COc1cc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C27H35N3O2/c1-32-26-18-20(14-15-25(26)31)19-28-16-8-2-3-9-17-29-27-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)27/h4,6,10,12,14-15,18,28,31H,2-3,5,7-9,11,13,16-17,19H2,1H3,(H,29,30)
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n/an/a 9.28n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...

Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433017
PNG
(CHEMBL2375924)
Show SMILES Cn1cc[n+](CCC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)c1
Show InChI InChI=1S/C25H20N6O2/c1-29-12-13-30(15-29)10-9-22(32)26-16-6-7-21-19(14-16)25(33)31-11-8-18-17-4-2-3-5-20(17)27-23(18)24(31)28-21/h2-8,11-15H,9-10H2,1H3,(H-,26,27,28,32,33)/p+1
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n/an/a 9.30n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
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
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