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PubMed code 24594525

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50449401
PNG
(CHEMBL3127215)
Show SMILES COc1ccc2c(c1)oc1cccc(CN(C(C)C)C(=O)CCO[N+]([O-])=O)c21
Show InChI InChI=1S/C20H22N2O6/c1-13(2)21(19(23)9-10-27-22(24)25)12-14-5-4-6-17-20(14)16-8-7-15(26-3)11-18(16)28-17/h4-8,11,13H,9-10,12H2,1-3H3
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n/an/a 180n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50449392
PNG
(CHEMBL3127220)
Show SMILES COc1ccc2c(c1)[nH]c1cccc(CN(C(C)C)C(=O)CCO[N+]([O-])=O)c21
Show InChI InChI=1S/C20H23N3O5/c1-13(2)22(19(24)9-10-28-23(25)26)12-14-5-4-6-17-20(14)16-8-7-15(27-3)11-18(16)21-17/h4-8,11,13,21H,9-10,12H2,1-3H3
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n/an/a 2.21E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50449392
PNG
(CHEMBL3127220)
Show SMILES COc1ccc2c(c1)[nH]c1cccc(CN(C(C)C)C(=O)CCO[N+]([O-])=O)c21
Show InChI InChI=1S/C20H23N3O5/c1-13(2)22(19(24)9-10-28-23(25)26)12-14-5-4-6-17-20(14)16-8-7-15(27-3)11-18(16)21-17/h4-8,11,13,21H,9-10,12H2,1-3H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50449402
PNG
(CHEMBL3127216)
Show SMILES COc1ccc2c(c1)[nH]c1cccc(CNC(C)C)c21
Show InChI InChI=1S/C17H20N2O/c1-11(2)18-10-12-5-4-6-15-17(12)14-8-7-13(20-3)9-16(14)19-15/h4-9,11,18-19H,10H2,1-3H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50449396
PNG
(CHEMBL3127040)
Show SMILES COc1ccc2c(c1)oc1cccc(CNC(C)C)c21
Show InChI InChI=1S/C17H19NO2/c1-11(2)18-10-12-5-4-6-15-17(12)14-8-7-13(19-3)9-16(14)20-15/h4-9,11,18H,10H2,1-3H3
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n/an/a 1.16E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50449396
PNG
(CHEMBL3127040)
Show SMILES COc1ccc2c(c1)oc1cccc(CNC(C)C)c21
Show InChI InChI=1S/C17H19NO2/c1-11(2)18-10-12-5-4-6-15-17(12)14-8-7-13(19-3)9-16(14)20-15/h4-9,11,18H,10H2,1-3H3
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n/an/a 1.35E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50449401
PNG
(CHEMBL3127215)
Show SMILES COc1ccc2c(c1)oc1cccc(CN(C(C)C)C(=O)CCO[N+]([O-])=O)c21
Show InChI InChI=1S/C20H22N2O6/c1-13(2)21(19(23)9-10-27-22(24)25)12-14-5-4-6-17-20(14)16-8-7-15(26-3)11-18(16)28-17/h4-8,11,13H,9-10,12H2,1-3H3
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n/an/a 1.43E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50449395
PNG
(CHEMBL3127217)
Show SMILES CCN(CC)Cc1cccc2[nH]c3cc(OC)ccc3c12
Show InChI InChI=1S/C18H22N2O/c1-4-20(5-2)12-13-7-6-8-16-18(13)15-10-9-14(21-3)11-17(15)19-16/h6-11,19H,4-5,12H2,1-3H3
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n/an/a 1.49E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50449393
PNG
(CHEMBL3127219)
Show SMILES CC(C)NCc1cccc2[nH]c3cc(O)ccc3c12
Show InChI InChI=1S/C16H18N2O/c1-10(2)17-9-11-4-3-5-14-16(11)13-7-6-12(19)8-15(13)18-14/h3-8,10,17-19H,9H2,1-2H3
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n/an/a 1.73E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50449400
PNG
(CHEMBL3127213)
Show SMILES COc1ccc2c(c1)oc1cccc(CNCc3ccccc3)c21
Show InChI InChI=1S/C21H19NO2/c1-23-17-10-11-18-20(12-17)24-19-9-5-8-16(21(18)19)14-22-13-15-6-3-2-4-7-15/h2-12,22H,13-14H2,1H3
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n/an/a 1.81E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50449403
PNG
(CHEMBL3127214)
Show SMILES CC(C)NCc1cccc2oc3cc(O)ccc3c12
Show InChI InChI=1S/C16H17NO2/c1-10(2)17-9-11-4-3-5-14-16(11)13-7-6-12(18)8-15(13)19-14/h3-8,10,17-18H,9H2,1-2H3
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n/an/a 1.84E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50449397
PNG
(CHEMBL3127041)
Show SMILES CCNCc1cccc2oc3cc(OC)ccc3c12
Show InChI InChI=1S/C16H17NO2/c1-3-17-10-11-5-4-6-14-16(11)13-8-7-12(18-2)9-15(13)19-14/h4-9,17H,3,10H2,1-2H3
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n/an/a 1.89E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50449397
PNG
(CHEMBL3127041)
Show SMILES CCNCc1cccc2oc3cc(OC)ccc3c12
Show InChI InChI=1S/C16H17NO2/c1-3-17-10-11-5-4-6-14-16(11)13-8-7-12(18-2)9-15(13)19-14/h4-9,17H,3,10H2,1-2H3
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n/an/a 2.22E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50449403
PNG
(CHEMBL3127214)
Show SMILES CC(C)NCc1cccc2oc3cc(O)ccc3c12
Show InChI InChI=1S/C16H17NO2/c1-10(2)17-9-11-4-3-5-14-16(11)13-7-6-12(18)8-15(13)19-14/h3-8,10,17-18H,9H2,1-2H3
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n/an/a 2.26E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50449399
PNG
(CHEMBL3127043)
Show SMILES CCN(CC)Cc1cccc2oc3cc(OC)ccc3c12
Show InChI InChI=1S/C18H21NO2/c1-4-19(5-2)12-13-7-6-8-16-18(13)15-10-9-14(20-3)11-17(15)21-16/h6-11H,4-5,12H2,1-3H3
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n/an/a 2.74E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50449394
PNG
(CHEMBL3127218)
Show SMILES COc1ccc2c(c1)[nH]c1cccc(CNCc3ccccc3)c21
Show InChI InChI=1S/C21H20N2O/c1-24-17-10-11-18-20(12-17)23-19-9-5-8-16(21(18)19)14-22-13-15-6-3-2-4-7-15/h2-12,22-23H,13-14H2,1H3
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n/an/a 2.99E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50449395
PNG
(CHEMBL3127217)
Show SMILES CCN(CC)Cc1cccc2[nH]c3cc(OC)ccc3c12
Show InChI InChI=1S/C18H22N2O/c1-4-20(5-2)12-13-7-6-8-16-18(13)15-10-9-14(21-3)11-17(15)19-16/h6-11,19H,4-5,12H2,1-3H3
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n/an/a 3.79E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50449399
PNG
(CHEMBL3127043)
Show SMILES CCN(CC)Cc1cccc2oc3cc(OC)ccc3c12
Show InChI InChI=1S/C18H21NO2/c1-4-19(5-2)12-13-7-6-8-16-18(13)15-10-9-14(20-3)11-17(15)21-16/h6-11H,4-5,12H2,1-3H3
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n/an/a 3.91E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50449393
PNG
(CHEMBL3127219)
Show SMILES CC(C)NCc1cccc2[nH]c3cc(O)ccc3c12
Show InChI InChI=1S/C16H18N2O/c1-10(2)17-9-11-4-3-5-14-16(11)13-7-6-12(19)8-15(13)18-14/h3-8,10,17-19H,9H2,1-2H3
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n/an/a 4.35E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50449398
PNG
(CHEMBL3127042)
Show SMILES CCN(C)Cc1cccc2oc3cc(OC)ccc3c12
Show InChI InChI=1S/C17H19NO2/c1-4-18(2)11-12-6-5-7-15-17(12)14-9-8-13(19-3)10-16(14)20-15/h5-10H,4,11H2,1-3H3
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PC sid
UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50449400
PNG
(CHEMBL3127213)
Show SMILES COc1ccc2c(c1)oc1cccc(CNCc3ccccc3)c21
Show InChI InChI=1S/C21H19NO2/c1-23-17-10-11-18-20(12-17)24-19-9-5-8-16(21(18)19)14-22-13-15-6-3-2-4-7-15/h2-12,22H,13-14H2,1H3
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50449394
PNG
(CHEMBL3127218)
Show SMILES COc1ccc2c(c1)[nH]c1cccc(CNCc3ccccc3)c21
Show InChI InChI=1S/C21H20N2O/c1-24-17-10-11-18-20(12-17)23-19-9-5-8-16(21(18)19)14-22-13-15-6-3-2-4-7-15/h2-12,22-23H,13-14H2,1H3
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50449402
PNG
(CHEMBL3127216)
Show SMILES COc1ccc2c(c1)[nH]c1cccc(CNC(C)C)c21
Show InChI InChI=1S/C17H20N2O/c1-11(2)18-10-12-5-4-6-15-17(12)14-8-7-13(20-3)9-16(14)19-15/h4-9,11,18-19H,10H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.08E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 76: 376-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.035
BindingDB Entry DOI: 10.7270/Q2W097FT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%