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PubMed code 22512543

Compile data set for download or QSAR
Found 72 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
Cholinesterase


(Equus caballus (Horse))		BDBM50396122
PNG
(CHEMBL2171326)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCO[N+]([O-])=O
Show InChI InChI=1S/C34H44N4O6/c1-42-32-25-26(17-19-31(32)43-23-12-24-44-38(40)41)18-20-33(39)35-21-10-4-2-3-5-11-22-36-34-27-13-6-8-15-29(27)37-30-16-9-7-14-28(30)34/h6,8,13,15,17-20,25H,2-5,7,9-12,14,16,21-24H2,1H3,(H,35,39)(H,36,37)/b20-18+
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n/an/a 1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396125
PNG
(CHEMBL2171323)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C33H42N4O6/c1-41-31-24-25(16-18-30(31)42-22-10-11-23-43-37(39)40)17-19-32(38)34-20-8-2-3-9-21-35-33-26-12-4-6-14-28(26)36-29-15-7-5-13-27(29)33/h4,6,12,14,16-19,24H,2-3,5,7-11,13,15,20-23H2,1H3,(H,34,38)(H,35,36)/b19-17+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396123
PNG
(CHEMBL2171325)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCO[N+]([O-])=O
Show InChI InChI=1S/C33H42N4O6/c1-41-31-24-25(16-18-30(31)42-22-23-43-37(39)40)17-19-32(38)34-20-10-4-2-3-5-11-21-35-33-26-12-6-8-14-28(26)36-29-15-9-7-13-27(29)33/h6,8,12,14,16-19,24H,2-5,7,9-11,13,15,20-23H2,1H3,(H,34,38)(H,35,36)/b19-17+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396121
PNG
(CHEMBL2171327)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C35H46N4O6/c1-43-33-26-27(18-20-32(33)44-24-12-13-25-45-39(41)42)19-21-34(40)36-22-10-4-2-3-5-11-23-37-35-28-14-6-8-16-30(28)38-31-17-9-7-15-29(31)35/h6,8,14,16,18-21,26H,2-5,7,9-13,15,17,22-25H2,1H3,(H,36,40)(H,37,38)/b21-19+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396120
PNG
(CHEMBL2169901)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCCCO[N+]([O-])=O
Show InChI InChI=1S/C37H50N4O6/c1-45-35-28-29(20-22-34(35)46-26-14-6-7-15-27-47-41(43)44)21-23-36(42)38-24-12-4-2-3-5-13-25-39-37-30-16-8-10-18-32(30)40-33-19-11-9-17-31(33)37/h8,10,16,18,20-23,28H,2-7,9,11-15,17,19,24-27H2,1H3,(H,38,42)(H,39,40)/b23-21+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396124
PNG
(CHEMBL2171324)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCCCO[N+]([O-])=O
Show InChI InChI=1S/C35H46N4O6/c1-43-33-26-27(18-20-32(33)44-24-12-4-5-13-25-45-39(41)42)19-21-34(40)36-22-10-2-3-11-23-37-35-28-14-6-8-16-30(28)38-31-17-9-7-15-29(31)35/h6,8,14,16,18-21,26H,2-5,7,9-13,15,17,22-25H2,1H3,(H,36,40)(H,37,38)/b21-19+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM9426
PNG
(CHEMBL258928 | Heterodimeric Tacrine-Based Inhibit...)
Show SMILES NCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C21H31N3/c22-15-9-3-1-2-4-10-16-23-21-17-11-5-7-13-19(17)24-20-14-8-6-12-18(20)21/h5,7,11,13H,1-4,6,8-10,12,14-16,22H2,(H,23,24)
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n/an/a 2.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM9426
PNG
(CHEMBL258928 | Heterodimeric Tacrine-Based Inhibit...)
Show SMILES NCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C21H31N3/c22-15-9-3-1-2-4-10-16-23-21-17-11-5-7-13-19(17)24-20-14-8-6-12-18(20)21/h5,7,11,13H,1-4,6,8-10,12,14-16,22H2,(H,23,24)
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n/an/a 2.90n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396133
PNG
(CHEMBL2171315)
Show SMILES COc1cc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C30H36N4O6/c1-38-28-21-22(13-15-27(28)39-19-6-7-20-40-34(36)37)14-16-29(35)31-17-8-18-32-30-23-9-2-4-11-25(23)33-26-12-5-3-10-24(26)30/h2,4,9,11,13-16,21H,3,5-8,10,12,17-20H2,1H3,(H,31,35)(H,32,33)/b16-14+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396125
PNG
(CHEMBL2171323)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C33H42N4O6/c1-41-31-24-25(16-18-30(31)42-22-10-11-23-43-37(39)40)17-19-32(38)34-20-8-2-3-9-21-35-33-26-12-4-6-14-28(26)36-29-15-7-5-13-27(29)33/h4,6,12,14,16-19,24H,2-3,5,7-11,13,15,20-23H2,1H3,(H,34,38)(H,35,36)/b19-17+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396126
PNG
(CHEMBL2171322)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCO[N+]([O-])=O
Show InChI InChI=1S/C32H40N4O6/c1-40-30-23-24(15-17-29(30)41-21-10-22-42-36(38)39)16-18-31(37)33-19-8-2-3-9-20-34-32-25-11-4-6-13-27(25)35-28-14-7-5-12-26(28)32/h4,6,11,13,15-18,23H,2-3,5,7-10,12,14,19-22H2,1H3,(H,33,37)(H,34,35)/b18-16+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396129
PNG
(CHEMBL2171319)
Show SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C31H38N4O6/c1-39-29-22-23(14-16-28(29)40-20-8-9-21-41-35(37)38)15-17-30(36)32-18-6-7-19-33-31-24-10-2-4-12-26(24)34-27-13-5-3-11-25(27)31/h2,4,10,12,14-17,22H,3,5-9,11,13,18-21H2,1H3,(H,32,36)(H,33,34)/b17-15+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396124
PNG
(CHEMBL2171324)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCCCO[N+]([O-])=O
Show InChI InChI=1S/C35H46N4O6/c1-43-33-26-27(18-20-32(33)44-24-12-4-5-13-25-45-39(41)42)19-21-34(40)36-22-10-2-3-11-23-37-35-28-14-6-8-16-30(28)38-31-17-9-7-15-29(31)35/h6,8,14,16,18-21,26H,2-5,7,9-13,15,17,22-25H2,1H3,(H,36,40)(H,37,38)/b21-19+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396127
PNG
(CHEMBL2171321)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCO[N+]([O-])=O
Show InChI InChI=1S/C31H38N4O6/c1-39-29-22-23(14-16-28(29)40-20-21-41-35(37)38)15-17-30(36)32-18-8-2-3-9-19-33-31-24-10-4-6-12-26(24)34-27-13-7-5-11-25(27)31/h4,6,10,12,14-17,22H,2-3,5,7-9,11,13,18-21H2,1H3,(H,32,36)(H,33,34)/b17-15+
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n/an/a 5.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396123
PNG
(CHEMBL2171325)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCO[N+]([O-])=O
Show InChI InChI=1S/C33H42N4O6/c1-41-31-24-25(16-18-30(31)42-22-23-43-37(39)40)17-19-32(38)34-20-10-4-2-3-5-11-21-35-33-26-12-6-8-14-28(26)36-29-15-9-7-13-27(29)33/h6,8,12,14,16-19,24H,2-5,7,9-11,13,15,20-23H2,1H3,(H,34,38)(H,35,36)/b19-17+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396126
PNG
(CHEMBL2171322)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCO[N+]([O-])=O
Show InChI InChI=1S/C32H40N4O6/c1-40-30-23-24(15-17-29(30)41-21-10-22-42-36(38)39)16-18-31(37)33-19-8-2-3-9-20-34-32-25-11-4-6-13-27(25)35-28-14-7-5-12-26(28)32/h4,6,11,13,15-18,23H,2-3,5,7-10,12,14,19-22H2,1H3,(H,33,37)(H,34,35)/b18-16+
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n/an/a 5.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396133
PNG
(CHEMBL2171315)
Show SMILES COc1cc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C30H36N4O6/c1-38-28-21-22(13-15-27(28)39-19-6-7-20-40-34(36)37)14-16-29(35)31-17-8-18-32-30-23-9-2-4-11-25(23)33-26-12-5-3-10-24(26)30/h2,4,9,11,13-16,21H,3,5-8,10,12,17-20H2,1H3,(H,31,35)(H,32,33)/b16-14+
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n/an/a 6.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396135
PNG
(CHEMBL2171328)
Show SMILES NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C19H27N3/c20-13-7-1-2-8-14-21-19-15-9-3-5-11-17(15)22-18-12-6-4-10-16(18)19/h3,5,9,11H,1-2,4,6-8,10,12-14,20H2,(H,21,22)
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n/an/a 6.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396111
PNG
(CHEMBL2171311)
Show SMILES COc1cc(\C=C\C(=O)NCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C29H34N4O6/c1-37-27-20-21(12-14-26(27)38-18-6-7-19-39-33(35)36)13-15-28(34)30-16-17-31-29-22-8-2-4-10-24(22)32-25-11-5-3-9-23(25)29/h2,4,8,10,12-15,20H,3,5-7,9,11,16-19H2,1H3,(H,30,34)(H,31,32)/b15-13+
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n/an/a 7.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396127
PNG
(CHEMBL2171321)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCO[N+]([O-])=O
Show InChI InChI=1S/C31H38N4O6/c1-39-29-22-23(14-16-28(29)40-20-21-41-35(37)38)15-17-30(36)32-18-8-2-3-9-19-33-31-24-10-4-6-12-26(24)34-27-13-7-5-11-25(27)31/h4,6,10,12,14-17,22H,2-3,5,7-9,11,13,18-21H2,1H3,(H,32,36)(H,33,34)/b17-15+
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n/an/a 8.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396112
PNG
(CHEMBL2171334)
Show SMILES COc1cc(\C=C\C(=O)NCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCO[N+]([O-])=O
Show InChI InChI=1S/C28H32N4O6/c1-36-26-19-20(11-13-25(26)37-17-6-18-38-32(34)35)12-14-27(33)29-15-16-30-28-21-7-2-4-9-23(21)31-24-10-5-3-8-22(24)28/h2,4,7,9,11-14,19H,3,5-6,8,10,15-18H2,1H3,(H,29,33)(H,30,31)/b14-12+
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n/an/a 8.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396121
PNG
(CHEMBL2171327)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C35H46N4O6/c1-43-33-26-27(18-20-32(33)44-24-12-13-25-45-39(41)42)19-21-34(40)36-22-10-4-2-3-5-11-23-37-35-28-14-6-8-16-30(28)38-31-17-9-7-15-29(31)35/h6,8,14,16,18-21,26H,2-5,7,9-13,15,17,22-25H2,1H3,(H,36,40)(H,37,38)/b21-19+
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n/an/a 9.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50377436
PNG
(CHEMBL255304)
Show SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C27H31N3O3/c1-33-25-18-19(12-14-24(25)31)13-15-26(32)28-16-6-7-17-29-27-20-8-2-4-10-22(20)30-23-11-5-3-9-21(23)27/h2,4,8,10,12-15,18,31H,3,5-7,9,11,16-17H2,1H3,(H,28,32)(H,29,30)/b15-13+
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n/an/a 9.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396122
PNG
(CHEMBL2171326)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCO[N+]([O-])=O
Show InChI InChI=1S/C34H44N4O6/c1-42-32-25-26(17-19-31(32)43-23-12-24-44-38(40)41)18-20-33(39)35-21-10-4-2-3-5-11-22-36-34-27-13-6-8-15-29(27)37-30-16-9-7-14-28(30)34/h6,8,13,15,17-20,25H,2-5,7,9-12,14,16,21-24H2,1H3,(H,35,39)(H,36,37)/b20-18+
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n/an/a 10.1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396113
PNG
(CHEMBL2171333)
Show SMILES COc1cc(\C=C\C(=O)NCCNc2c3CCCCc3nc3ccccc23)ccc1OCCO[N+]([O-])=O
Show InChI InChI=1S/C27H30N4O6/c1-35-25-18-19(10-12-24(25)36-16-17-37-31(33)34)11-13-26(32)28-14-15-29-27-20-6-2-4-8-22(20)30-23-9-5-3-7-21(23)27/h2,4,6,8,10-13,18H,3,5,7,9,14-17H2,1H3,(H,28,32)(H,29,30)/b13-11+
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n/an/a 10.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(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 10.6n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396120
PNG
(CHEMBL2169901)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCCCO[N+]([O-])=O
Show InChI InChI=1S/C37H50N4O6/c1-45-35-28-29(20-22-34(35)46-26-14-6-7-15-27-47-41(43)44)21-23-36(42)38-24-12-4-2-3-5-13-25-39-37-30-16-8-10-18-32(30)40-33-19-11-9-17-31(33)37/h8,10,16,18,20-23,28H,2-7,9,11-15,17,19,24-27H2,1H3,(H,38,42)(H,39,40)/b23-21+
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n/an/a 10.8n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396134
PNG
(CHEMBL2171314)
Show SMILES COc1cc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCO[N+]([O-])=O
Show InChI InChI=1S/C29H34N4O6/c1-37-27-20-21(12-14-26(27)38-18-7-19-39-33(35)36)13-15-28(34)30-16-6-17-31-29-22-8-2-4-10-24(22)32-25-11-5-3-9-23(25)29/h2,4,8,10,12-15,20H,3,5-7,9,11,16-19H2,1H3,(H,30,34)(H,31,32)/b15-13+
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n/an/a 10.9n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50377436
PNG
(CHEMBL255304)
Show SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C27H31N3O3/c1-33-25-18-19(12-14-24(25)31)13-15-26(32)28-16-6-7-17-29-27-20-8-2-4-10-22(20)30-23-11-5-3-9-21(23)27/h2,4,8,10,12-15,18,31H,3,5-7,9,11,16-17H2,1H3,(H,28,32)(H,29,30)/b15-13+
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n/an/a 11.1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396128
PNG
(CHEMBL2171320)
Show SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCCCO[N+]([O-])=O
Show InChI InChI=1S/C33H42N4O6/c1-41-31-24-25(16-18-30(31)42-22-10-2-3-11-23-43-37(39)40)17-19-32(38)34-20-8-9-21-35-33-26-12-4-6-14-28(26)36-29-15-7-5-13-27(29)33/h4,6,12,14,16-19,24H,2-3,5,7-11,13,15,20-23H2,1H3,(H,34,38)(H,35,36)/b19-17+
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n/an/a 11.7n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396118
PNG
(CHEMBL2171309)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C29H35N3O3/c1-35-27-20-21(14-16-26(27)33)15-17-28(34)30-18-8-2-3-9-19-31-29-22-10-4-6-12-24(22)32-25-13-7-5-11-23(25)29/h4,6,10,12,14-17,20,33H,2-3,5,7-9,11,13,18-19H2,1H3,(H,30,34)(H,31,32)/b17-15+
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n/an/a 12.7n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396109
PNG
(CHEMBL2171313)
Show SMILES COc1cc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCO[N+]([O-])=O
Show InChI InChI=1S/C28H32N4O6/c1-36-26-19-20(11-13-25(26)37-17-18-38-32(34)35)12-14-27(33)29-15-6-16-30-28-21-7-2-4-9-23(21)31-24-10-5-3-8-22(24)28/h2,4,7,9,11-14,19H,3,5-6,8,10,15-18H2,1H3,(H,29,33)(H,30,31)/b14-12+
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n/an/a 14.4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50377435
PNG
(CHEMBL256919)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C31H39N3O3/c1-37-29-22-23(16-18-28(29)35)17-19-30(36)32-20-10-4-2-3-5-11-21-33-31-24-12-6-8-14-26(24)34-27-15-9-7-13-25(27)31/h6,8,12,14,16-19,22,35H,2-5,7,9-11,13,15,20-21H2,1H3,(H,32,36)(H,33,34)/b19-17+
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n/an/a 16.9n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396113
PNG
(CHEMBL2171333)
Show SMILES COc1cc(\C=C\C(=O)NCCNc2c3CCCCc3nc3ccccc23)ccc1OCCO[N+]([O-])=O
Show InChI InChI=1S/C27H30N4O6/c1-35-25-18-19(10-12-24(25)36-16-17-37-31(33)34)11-13-26(32)28-14-15-29-27-20-6-2-4-8-22(20)30-23-9-5-3-7-21(23)27/h2,4,6,8,10-13,18H,3,5,7,9,14-17H2,1H3,(H,28,32)(H,29,30)/b13-11+
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n/an/a 17.2n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396134
PNG
(CHEMBL2171314)
Show SMILES COc1cc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCO[N+]([O-])=O
Show InChI InChI=1S/C29H34N4O6/c1-37-27-20-21(12-14-26(27)38-18-7-19-39-33(35)36)13-15-28(34)30-16-6-17-31-29-22-8-2-4-10-24(22)32-25-11-5-3-9-23(25)29/h2,4,8,10,12-15,20H,3,5-7,9,11,16-19H2,1H3,(H,30,34)(H,31,32)/b15-13+
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n/an/a 17.7n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396132
PNG
(CHEMBL2171316)
Show SMILES COc1cc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCCCO[N+]([O-])=O
Show InChI InChI=1S/C32H40N4O6/c1-40-30-23-24(15-17-29(30)41-21-8-2-3-9-22-42-36(38)39)16-18-31(37)33-19-10-20-34-32-25-11-4-6-13-27(25)35-28-14-7-5-12-26(28)32/h4,6,11,13,15-18,23H,2-3,5,7-10,12,14,19-22H2,1H3,(H,33,37)(H,34,35)/b18-16+
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n/an/a 19.3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396129
PNG
(CHEMBL2171319)
Show SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C31H38N4O6/c1-39-29-22-23(14-16-28(29)40-20-8-9-21-41-35(37)38)15-17-30(36)32-18-6-7-19-33-31-24-10-2-4-12-26(24)34-27-13-5-3-11-25(27)31/h2,4,10,12,14-17,22H,3,5-9,11,13,18-21H2,1H3,(H,32,36)(H,33,34)/b17-15+
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n/an/a 19.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50377431
PNG
(CHEMBL258744)
Show SMILES NCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C16H21N3/c17-10-5-11-18-16-12-6-1-3-8-14(12)19-15-9-4-2-7-13(15)16/h1,3,6,8H,2,4-5,7,9-11,17H2,(H,18,19)
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n/an/a 19.7n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396112
PNG
(CHEMBL2171334)
Show SMILES COc1cc(\C=C\C(=O)NCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCO[N+]([O-])=O
Show InChI InChI=1S/C28H32N4O6/c1-36-26-19-20(11-13-25(26)37-17-6-18-38-32(34)35)12-14-27(33)29-15-16-30-28-21-7-2-4-9-23(21)31-24-10-5-3-8-22(24)28/h2,4,7,9,11-14,19H,3,5-6,8,10,15-18H2,1H3,(H,29,33)(H,30,31)/b14-12+
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n/an/a 19.9n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396131
PNG
(CHEMBL2171317)
Show SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCO[N+]([O-])=O
Show InChI InChI=1S/C29H34N4O6/c1-37-27-20-21(12-14-26(27)38-18-19-39-33(35)36)13-15-28(34)30-16-6-7-17-31-29-22-8-2-4-10-24(22)32-25-11-5-3-9-23(25)29/h2,4,8,10,12-15,20H,3,5-7,9,11,16-19H2,1H3,(H,30,34)(H,31,32)/b15-13+
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n/an/a 20.2n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396110
PNG
(CHEMBL2171312)
Show SMILES COc1cc(\C=C\C(=O)NCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCCCO[N+]([O-])=O
Show InChI InChI=1S/C31H38N4O6/c1-39-29-22-23(14-16-28(29)40-20-8-2-3-9-21-41-35(37)38)15-17-30(36)32-18-19-33-31-24-10-4-6-12-26(24)34-27-13-7-5-11-25(27)31/h4,6,10,12,14-17,22H,2-3,5,7-9,11,13,18-21H2,1H3,(H,32,36)(H,33,34)/b17-15+
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n/an/a 21.8n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396132
PNG
(CHEMBL2171316)
Show SMILES COc1cc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCCCO[N+]([O-])=O
Show InChI InChI=1S/C32H40N4O6/c1-40-30-23-24(15-17-29(30)41-21-8-2-3-9-22-42-36(38)39)16-18-31(37)33-19-10-20-34-32-25-11-4-6-13-27(25)35-28-14-7-5-12-26(28)32/h4,6,11,13,15-18,23H,2-3,5,7-10,12,14,19-22H2,1H3,(H,33,37)(H,34,35)/b18-16+
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n/an/a 21.8n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396131
PNG
(CHEMBL2171317)
Show SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCO[N+]([O-])=O
Show InChI InChI=1S/C29H34N4O6/c1-37-27-20-21(12-14-26(27)38-18-19-39-33(35)36)13-15-28(34)30-16-6-7-17-31-29-22-8-2-4-10-24(22)32-25-11-5-3-9-23(25)29/h2,4,8,10,12-15,20H,3,5-7,9,11,16-19H2,1H3,(H,30,34)(H,31,32)/b15-13+
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n/an/a 22.1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50377433
PNG
(CHEMBL258926)
Show SMILES NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C17H23N3/c18-11-5-6-12-19-17-13-7-1-3-9-15(13)20-16-10-4-2-8-14(16)17/h1,3,7,9H,2,4-6,8,10-12,18H2,(H,19,20)
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n/an/a 22.9n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396130
PNG
(CHEMBL2171318)
Show SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCO[N+]([O-])=O
Show InChI InChI=1S/C30H36N4O6/c1-38-28-21-22(13-15-27(28)39-19-8-20-40-34(36)37)14-16-29(35)31-17-6-7-18-32-30-23-9-2-4-11-25(23)33-26-12-5-3-10-24(26)30/h2,4,9,11,13-16,21H,3,5-8,10,12,17-20H2,1H3,(H,31,35)(H,32,33)/b16-14+
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n/an/a 23.6n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396135
PNG
(CHEMBL2171328)
Show SMILES NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C19H27N3/c20-13-7-1-2-8-14-21-19-15-9-3-5-11-17(15)22-18-12-6-4-10-16(18)19/h3,5,9,11H,1-2,4,6-8,10,12-14,20H2,(H,21,22)
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n/an/a 23.7n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396109
PNG
(CHEMBL2171313)
Show SMILES COc1cc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCO[N+]([O-])=O
Show InChI InChI=1S/C28H32N4O6/c1-36-26-19-20(11-13-25(26)37-17-18-38-32(34)35)12-14-27(33)29-15-6-16-30-28-21-7-2-4-9-23(21)31-24-10-5-3-8-22(24)28/h2,4,7,9,11-14,19H,3,5-6,8,10,15-18H2,1H3,(H,29,33)(H,30,31)/b14-12+
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n/an/a 24.9n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396118
PNG
(CHEMBL2171309)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C29H35N3O3/c1-35-27-20-21(14-16-26(27)33)15-17-28(34)30-18-8-2-3-9-19-31-29-22-10-4-6-12-24(22)32-25-13-7-5-11-23(25)29/h4,6,10,12,14-17,20,33H,2-3,5,7-9,11,13,18-19H2,1H3,(H,30,34)(H,31,32)/b17-15+
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n/an/a 26.3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396111
PNG
(CHEMBL2171311)
Show SMILES COc1cc(\C=C\C(=O)NCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C29H34N4O6/c1-37-27-20-21(12-14-26(27)38-18-6-7-19-39-33(35)36)13-15-28(34)30-16-17-31-29-22-8-2-4-10-24(22)32-25-11-5-3-9-23(25)29/h2,4,8,10,12-15,20H,3,5-7,9,11,16-19H2,1H3,(H,30,34)(H,31,32)/b15-13+
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n/an/a 27.1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50377435
PNG
(CHEMBL256919)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C31H39N3O3/c1-37-29-22-23(16-18-28(29)35)17-19-30(36)32-20-10-4-2-3-5-11-21-33-31-24-12-6-8-14-26(24)34-27-15-9-7-13-25(27)31/h6,8,12,14,16-19,22,35H,2-5,7,9-11,13,15,20-21H2,1H3,(H,32,36)(H,33,34)/b19-17+
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n/an/a 27.4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396128
PNG
(CHEMBL2171320)
Show SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCCCO[N+]([O-])=O
Show InChI InChI=1S/C33H42N4O6/c1-41-31-24-25(16-18-30(31)42-22-10-2-3-11-23-43-37(39)40)17-19-32(38)34-20-8-9-21-35-33-26-12-4-6-14-28(26)36-29-15-7-5-13-27(29)33/h4,6,12,14,16-19,24H,2-3,5,7-11,13,15,20-23H2,1H3,(H,34,38)(H,35,36)/b19-17+
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n/an/a 27.9n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50377434
PNG
(CHEMBL407765)
Show SMILES NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C15H19N3/c16-9-10-17-15-11-5-1-3-7-13(11)18-14-8-4-2-6-12(14)15/h1,3,5,7H,2,4,6,8-10,16H2,(H,17,18)
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n/an/a 30.9n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50377437
PNG
(CHEMBL255502)
Show SMILES COc1cc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C26H29N3O3/c1-32-24-17-18(11-13-23(24)30)12-14-25(31)27-15-6-16-28-26-19-7-2-4-9-21(19)29-22-10-5-3-8-20(22)26/h2,4,7,9,11-14,17,30H,3,5-6,8,10,15-16H2,1H3,(H,27,31)(H,28,29)/b14-12+
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n/an/a 31.1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50377438
PNG
(CHEMBL403083)
Show SMILES COc1cc(\C=C\C(=O)NCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C25H27N3O3/c1-31-23-16-17(10-12-22(23)29)11-13-24(30)26-14-15-27-25-18-6-2-4-8-20(18)28-21-9-5-3-7-19(21)25/h2,4,6,8,10-13,16,29H,3,5,7,9,14-15H2,1H3,(H,26,30)(H,27,28)/b13-11+
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n/an/a 37.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50377433
PNG
(CHEMBL258926)
Show SMILES NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C17H23N3/c18-11-5-6-12-19-17-13-7-1-3-9-15(13)20-16-10-4-2-8-14(16)17/h1,3,7,9H,2,4-6,8,10-12,18H2,(H,19,20)
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n/an/a 39.3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396119
PNG
(CHEMBL2171308)
Show SMILES CCCOc1ccc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C29H35N3O3/c1-3-19-35-26-15-13-21(20-27(26)34-2)14-16-28(33)30-17-8-18-31-29-22-9-4-6-11-24(22)32-25-12-7-5-10-23(25)29/h4,6,9,11,13-16,20H,3,5,7-8,10,12,17-19H2,1-2H3,(H,30,33)(H,31,32)/b16-14+
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n/an/a 40.3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396110
PNG
(CHEMBL2171312)
Show SMILES COc1cc(\C=C\C(=O)NCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCCCO[N+]([O-])=O
Show InChI InChI=1S/C31H38N4O6/c1-39-29-22-23(14-16-28(29)40-20-8-2-3-9-21-41-35(37)38)15-17-30(36)32-18-19-33-31-24-10-4-6-12-26(24)34-27-13-7-5-11-25(27)31/h4,6,10,12,14-17,22H,2-3,5,7-9,11,13,18-21H2,1H3,(H,32,36)(H,33,34)/b17-15+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396130
PNG
(CHEMBL2171318)
Show SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCO[N+]([O-])=O
Show InChI InChI=1S/C30H36N4O6/c1-38-28-21-22(13-15-27(28)39-19-8-20-40-34(36)37)14-16-29(35)31-17-6-7-18-32-30-23-9-2-4-11-25(23)33-26-12-5-3-10-24(26)30/h2,4,9,11,13-16,21H,3,5-8,10,12,17-20H2,1H3,(H,31,35)(H,32,33)/b16-14+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50377437
PNG
(CHEMBL255502)
Show SMILES COc1cc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C26H29N3O3/c1-32-24-17-18(11-13-23(24)30)12-14-25(31)27-15-6-16-28-26-19-7-2-4-9-21(19)29-22-10-5-3-8-20(22)26/h2,4,7,9,11-14,17,30H,3,5-6,8,10,15-16H2,1H3,(H,27,31)(H,28,29)/b14-12+
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n/an/a 56.7n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50377438
PNG
(CHEMBL403083)
Show SMILES COc1cc(\C=C\C(=O)NCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C25H27N3O3/c1-31-23-16-17(10-12-22(23)29)11-13-24(30)26-14-15-27-25-18-6-2-4-8-20(18)28-21-9-5-3-7-19(21)25/h2,4,6,8,10-13,16,29H,3,5,7,9,14-15H2,1H3,(H,26,30)(H,27,28)/b13-11+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
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 69.8n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396119
PNG
(CHEMBL2171308)
Show SMILES CCCOc1ccc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C29H35N3O3/c1-3-19-35-26-15-13-21(20-27(26)34-2)14-16-28(33)30-17-8-18-31-29-22-9-4-6-11-24(22)32-25-12-7-5-10-23(25)29/h4,6,9,11,13-16,20H,3,5,7-8,10,12,17-19H2,1-2H3,(H,30,33)(H,31,32)/b16-14+
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n/an/a 69.8n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50377434
PNG
(CHEMBL407765)
Show SMILES NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C15H19N3/c16-9-10-17-15-11-5-1-3-7-13(11)18-14-8-4-2-6-12(14)15/h1,3,5,7H,2,4,6,8-10,16H2,(H,17,18)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50377431
PNG
(CHEMBL258744)
Show SMILES NCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C16H21N3/c17-10-5-11-18-16-12-6-1-3-8-14(12)19-15-9-4-2-7-13(15)16/h1,3,6,8H,2,4-5,7,9-11,17H2,(H,18,19)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396114
PNG
(CHEMBL2171332)
Show SMILES COc1cc(\C=C\C(O)=O)ccc1OCCCCCCO[N+]([O-])=O
Show InChI InChI=1S/C16H21NO7/c1-22-15-12-13(7-9-16(18)19)6-8-14(15)23-10-4-2-3-5-11-24-17(20)21/h6-9,12H,2-5,10-11H2,1H3,(H,18,19)/b9-7+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396116
PNG
(CHEMBL2171330)
Show SMILES COc1cc(\C=C\C(O)=O)ccc1OCCCO[N+]([O-])=O
Show InChI InChI=1S/C13H15NO7/c1-19-12-9-10(4-6-13(15)16)3-5-11(12)20-7-2-8-21-14(17)18/h3-6,9H,2,7-8H2,1H3,(H,15,16)/b6-4+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396117
PNG
(CHEMBL2171329)
Show SMILES COc1cc(\C=C\C(O)=O)ccc1OCCO[N+]([O-])=O
Show InChI InChI=1S/C12H13NO7/c1-18-11-8-9(3-5-12(14)15)2-4-10(11)19-6-7-20-13(16)17/h2-5,8H,6-7H2,1H3,(H,14,15)/b5-3+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396117
PNG
(CHEMBL2171329)
Show SMILES COc1cc(\C=C\C(O)=O)ccc1OCCO[N+]([O-])=O
Show InChI InChI=1S/C12H13NO7/c1-18-11-8-9(3-5-12(14)15)2-4-10(11)19-6-7-20-13(16)17/h2-5,8H,6-7H2,1H3,(H,14,15)/b5-3+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396115
PNG
(CHEMBL2171331)
Show SMILES COc1cc(\C=C\C(O)=O)ccc1OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C14H17NO7/c1-20-13-10-11(5-7-14(16)17)4-6-12(13)21-8-2-3-9-22-15(18)19/h4-7,10H,2-3,8-9H2,1H3,(H,16,17)/b7-5+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396115
PNG
(CHEMBL2171331)
Show SMILES COc1cc(\C=C\C(O)=O)ccc1OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C14H17NO7/c1-20-13-10-11(5-7-14(16)17)4-6-12(13)21-8-2-3-9-22-15(18)19/h4-7,10H,2-3,8-9H2,1H3,(H,16,17)/b7-5+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50396116
PNG
(CHEMBL2171330)
Show SMILES COc1cc(\C=C\C(O)=O)ccc1OCCCO[N+]([O-])=O
Show InChI InChI=1S/C13H15NO7/c1-19-12-9-10(4-6-13(15)16)3-5-11(12)20-7-2-8-21-14(17)18/h3-6,9H,2,7-8H2,1H3,(H,15,16)/b6-4+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50396114
PNG
(CHEMBL2171332)
Show SMILES COc1cc(\C=C\C(O)=O)ccc1OCCCCCCO[N+]([O-])=O
Show InChI InChI=1S/C16H21NO7/c1-22-15-12-13(7-9-16(18)19)6-8-14(15)23-10-4-2-3-5-11-24-17(20)21/h6-9,12H,2-5,10-11H2,1H3,(H,18,19)/b9-7+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%