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PubMed code 23602518

Compile data set for download or QSAR
Found 50 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))		BDBM50434513
PNG
(CHEMBL2385778)
Show SMILES COc1ccccc1C=C1CNCC2C(NC(=S)N=C12)c1ccccc1OC |w:8.8,t:19|
Show InChI InChI=1S/C22H23N3O2S/c1-26-18-9-5-3-7-14(18)11-15-12-23-13-17-20(15)24-22(28)25-21(17)16-8-4-6-10-19(16)27-2/h3-11,17,21,23H,12-13H2,1-2H3,(H,25,28)
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n/an/a 800n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434513
PNG
(CHEMBL2385778)
Show SMILES COc1ccccc1C=C1CNCC2C(NC(=S)N=C12)c1ccccc1OC |w:8.8,t:19|
Show InChI InChI=1S/C22H23N3O2S/c1-26-18-9-5-3-7-14(18)11-15-12-23-13-17-20(15)24-22(28)25-21(17)16-8-4-6-10-19(16)27-2/h3-11,17,21,23H,12-13H2,1-2H3,(H,25,28)
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n/an/a 1.18E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434506
PNG
(CHEMBL2385785)
Show SMILES S=C1NC(C2CNCC(=Cc3cccc4ccccc34)C2=N1)c1cccc2ccccc12 |w:9.9,c:23|
Show InChI InChI=1S/C28H23N3S/c32-28-30-26-21(15-20-11-5-9-18-7-1-3-12-22(18)20)16-29-17-25(26)27(31-28)24-14-6-10-19-8-2-4-13-23(19)24/h1-15,25,27,29H,16-17H2,(H,31,32)
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n/an/a 1.37E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434511
PNG
(CHEMBL2385780)
Show SMILES Brc1ccc(C=C2CNCC3C(NC(=S)N=C23)c2ccc(Br)cc2)cc1 |w:5.4,t:15|
Show InChI InChI=1S/C20H17Br2N3S/c21-15-5-1-12(2-6-15)9-14-10-23-11-17-18(24-20(26)25-19(14)17)13-3-7-16(22)8-4-13/h1-9,17-18,23H,10-11H2,(H,24,26)
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n/an/a 1.65E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
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 2.09E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434509
PNG
(CHEMBL2385782)
Show SMILES Clc1ccc(C=C2CNCC3C(NC(=S)N=C23)c2ccc(Cl)cc2)cc1 |w:5.4,t:15|
Show InChI InChI=1S/C20H17Cl2N3S/c21-15-5-1-12(2-6-15)9-14-10-23-11-17-18(24-20(26)25-19(14)17)13-3-7-16(22)8-4-13/h1-9,17-18,23H,10-11H2,(H,24,26)
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n/an/a 2.25E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434527
PNG
(CHEMBL2385764)
Show SMILES Clc1ccccc1C=C1CNCC2C(NC(=O)N=C12)c1ccccc1Cl |w:7.7,t:18|
Show InChI InChI=1S/C20H17Cl2N3O/c21-16-7-3-1-5-12(16)9-13-10-23-11-15-18(13)24-20(26)25-19(15)14-6-2-4-8-17(14)22/h1-9,15,19,23H,10-11H2,(H,25,26)
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n/an/a 2.51E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434529
PNG
(CHEMBL2385762)
Show SMILES O=C1NC(C2CNCC(=Cc3ccccc3)C2=N1)c1ccccc1 |w:9.9,c:18|
Show InChI InChI=1S/C20H19N3O/c24-20-22-18(15-9-5-2-6-10-15)17-13-21-12-16(19(17)23-20)11-14-7-3-1-4-8-14/h1-11,17-18,21H,12-13H2,(H,22,24)
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n/an/a 2.86E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434515
PNG
(CHEMBL2385776)
Show SMILES Clc1ccccc1C=C1CNCC2C(NC(=S)N=C12)c1ccccc1Cl |w:7.7,t:18|
Show InChI InChI=1S/C20H17Cl2N3S/c21-16-7-3-1-5-12(16)9-13-10-23-11-15-18(13)24-20(26)25-19(15)14-6-2-4-8-17(14)22/h1-9,15,19,23H,10-11H2,(H,25,26)
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n/an/a 2.91E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434516
PNG
(CHEMBL2385775)
Show SMILES Cc1ccccc1C=C1CNCC2C(NC(=S)N=C12)c1ccccc1C |w:7.7,t:18|
Show InChI InChI=1S/C22H23N3S/c1-14-7-3-5-9-16(14)11-17-12-23-13-19-20(17)24-22(26)25-21(19)18-10-6-4-8-15(18)2/h3-11,19,21,23H,12-13H2,1-2H3,(H,25,26)
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n/an/a 3.07E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434526
PNG
(CHEMBL2385765)
Show SMILES Fc1ccccc1C=C1CNCC2C(NC(=O)N=C12)c1ccccc1F |w:7.7,t:18|
Show InChI InChI=1S/C20H17F2N3O/c21-16-7-3-1-5-12(16)9-13-10-23-11-15-18(13)24-20(26)25-19(15)14-6-2-4-8-17(14)22/h1-9,15,19,23H,10-11H2,(H,25,26)
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n/an/a 3.31E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434517
PNG
(CHEMBL2385774)
Show SMILES S=C1NC(C2CNCC(=Cc3ccccc3)C2=N1)c1ccccc1 |w:9.9,c:18|
Show InChI InChI=1S/C20H19N3S/c24-20-22-18(15-9-5-2-6-10-15)17-13-21-12-16(19(17)23-20)11-14-7-3-1-4-8-14/h1-11,17-18,21H,12-13H2,(H,22,24)
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n/an/a 3.78E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434528
PNG
(CHEMBL2385763)
Show SMILES Cc1ccccc1C=C1CNCC2C(NC(=O)N=C12)c1ccccc1C |w:7.7,t:18|
Show InChI InChI=1S/C22H23N3O/c1-14-7-3-5-9-16(14)11-17-12-23-13-19-20(17)24-22(26)25-21(19)18-10-6-4-8-15(18)2/h3-11,19,21,23H,12-13H2,1-2H3,(H,25,26)
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n/an/a 5.22E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434518
PNG
(CHEMBL2385773)
Show SMILES O=C1NC(C2CNCC(=Cc3cccc4ccccc34)C2=N1)c1cccc2ccccc12 |w:9.9,c:23|
Show InChI InChI=1S/C28H23N3O/c32-28-30-26-21(15-20-11-5-9-18-7-1-3-12-22(18)20)16-29-17-25(26)27(31-28)24-14-6-10-19-8-2-4-13-23(19)24/h1-15,25,27,29H,16-17H2,(H,31,32)
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n/an/a 5.39E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434506
PNG
(CHEMBL2385785)
Show SMILES S=C1NC(C2CNCC(=Cc3cccc4ccccc34)C2=N1)c1cccc2ccccc12 |w:9.9,c:23|
Show InChI InChI=1S/C28H23N3S/c32-28-30-26-21(15-20-11-5-9-18-7-1-3-12-22(18)20)16-29-17-25(26)27(31-28)24-14-6-10-19-8-2-4-13-23(19)24/h1-15,25,27,29H,16-17H2,(H,31,32)
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n/an/a 5.58E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434523
PNG
(CHEMBL2385768)
Show SMILES Brc1ccc(C=C2CNCC3C(NC(=O)N=C23)c2ccc(Br)cc2)cc1 |w:5.4,t:15|
Show InChI InChI=1S/C20H17Br2N3O/c21-15-5-1-12(2-6-15)9-14-10-23-11-17-18(24-20(26)25-19(14)17)13-3-7-16(22)8-4-13/h1-9,17-18,23H,10-11H2,(H,24,26)
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n/an/a 6.22E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434509
PNG
(CHEMBL2385782)
Show SMILES Clc1ccc(C=C2CNCC3C(NC(=S)N=C23)c2ccc(Cl)cc2)cc1 |w:5.4,t:15|
Show InChI InChI=1S/C20H17Cl2N3S/c21-15-5-1-12(2-6-15)9-14-10-23-11-17-18(24-20(26)25-19(14)17)13-3-7-16(22)8-4-13/h1-9,17-18,23H,10-11H2,(H,24,26)
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n/an/a 6.26E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434510
PNG
(CHEMBL2385781)
Show SMILES Cc1ccc(C=C2CNCC3C(NC(=S)N=C23)c2ccc(C)cc2)cc1 |w:5.4,t:15|
Show InChI InChI=1S/C22H23N3S/c1-14-3-7-16(8-4-14)11-18-12-23-13-19-20(24-22(26)25-21(18)19)17-9-5-15(2)6-10-17/h3-11,19-20,23H,12-13H2,1-2H3,(H,24,26)
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n/an/a 6.27E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434514
PNG
(CHEMBL2385777)
Show SMILES Fc1ccccc1C=C1CNCC2C(NC(=S)N=C12)c1ccccc1F |w:7.7,t:18|
Show InChI InChI=1S/C20H17F2N3S/c21-16-7-3-1-5-12(16)9-13-10-23-11-15-18(13)24-20(26)25-19(15)14-6-2-4-8-17(14)22/h1-9,15,19,23H,10-11H2,(H,25,26)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434522
PNG
(CHEMBL2385769)
Show SMILES Cc1ccc(C=C2CNCC3C(NC(=O)N=C23)c2ccc(C)cc2)cc1 |w:5.4,t:15|
Show InChI InChI=1S/C22H23N3O/c1-14-3-7-16(8-4-14)11-18-12-23-13-19-20(24-22(26)25-21(18)19)17-9-5-15(2)6-10-17/h3-11,19-20,23H,12-13H2,1-2H3,(H,24,26)
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n/an/a 7.09E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434512
PNG
(CHEMBL2385779)
Show SMILES [O-][N+](=O)c1cccc(C=C2CNCC3C(NC(=S)N=C23)c2cccc(c2)[N+]([O-])=O)c1 |w:8.7,t:18|
Show InChI InChI=1S/C20H17N5O4S/c26-24(27)15-5-1-3-12(8-15)7-14-10-21-11-17-18(22-20(30)23-19(14)17)13-4-2-6-16(9-13)25(28)29/h1-9,17-18,21H,10-11H2,(H,22,30)
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n/an/a 8.09E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434524
PNG
(CHEMBL2385767)
Show SMILES [O-][N+](=O)c1cccc(C=C2CNCC3C(NC(=O)N=C23)c2cccc(c2)[N+]([O-])=O)c1 |w:8.7,t:18|
Show InChI InChI=1S/C20H17N5O5/c26-20-22-18(13-4-2-6-16(9-13)25(29)30)17-11-21-10-14(19(17)23-20)7-12-3-1-5-15(8-12)24(27)28/h1-9,17-18,21H,10-11H2,(H,22,26)
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n/an/a 1.03E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434525
PNG
(CHEMBL2385766)
Show SMILES COc1ccccc1C=C1CNCC2C(NC(=O)N=C12)c1ccccc1OC |w:8.8,t:19|
Show InChI InChI=1S/C22H23N3O3/c1-27-18-9-5-3-7-14(18)11-15-12-23-13-17-20(15)24-22(26)25-21(17)16-8-4-6-10-19(16)28-2/h3-11,17,21,23H,12-13H2,1-2H3,(H,25,26)
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n/an/a 1.07E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434511
PNG
(CHEMBL2385780)
Show SMILES Brc1ccc(C=C2CNCC3C(NC(=S)N=C23)c2ccc(Br)cc2)cc1 |w:5.4,t:15|
Show InChI InChI=1S/C20H17Br2N3S/c21-15-5-1-12(2-6-15)9-14-10-23-11-17-18(24-20(26)25-19(14)17)13-3-7-16(22)8-4-13/h1-9,17-18,23H,10-11H2,(H,24,26)
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n/an/a 1.19E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434518
PNG
(CHEMBL2385773)
Show SMILES O=C1NC(C2CNCC(=Cc3cccc4ccccc34)C2=N1)c1cccc2ccccc12 |w:9.9,c:23|
Show InChI InChI=1S/C28H23N3O/c32-28-30-26-21(15-20-11-5-9-18-7-1-3-12-22(18)20)16-29-17-25(26)27(31-28)24-14-6-10-19-8-2-4-13-23(19)24/h1-15,25,27,29H,16-17H2,(H,31,32)
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n/an/a 1.32E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434523
PNG
(CHEMBL2385768)
Show SMILES Brc1ccc(C=C2CNCC3C(NC(=O)N=C23)c2ccc(Br)cc2)cc1 |w:5.4,t:15|
Show InChI InChI=1S/C20H17Br2N3O/c21-15-5-1-12(2-6-15)9-14-10-23-11-17-18(24-20(26)25-19(14)17)13-3-7-16(22)8-4-13/h1-9,17-18,23H,10-11H2,(H,24,26)
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n/an/a 1.59E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434521
PNG
(CHEMBL2385770)
Show SMILES Clc1ccc(C=C2CNCC3C(NC(=O)N=C23)c2ccc(Cl)cc2)cc1 |w:5.4,t:15|
Show InChI InChI=1S/C20H17Cl2N3O/c21-15-5-1-12(2-6-15)9-14-10-23-11-17-18(24-20(26)25-19(14)17)13-3-7-16(22)8-4-13/h1-9,17-18,23H,10-11H2,(H,24,26)
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n/an/a 1.67E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434526
PNG
(CHEMBL2385765)
Show SMILES Fc1ccccc1C=C1CNCC2C(NC(=O)N=C12)c1ccccc1F |w:7.7,t:18|
Show InChI InChI=1S/C20H17F2N3O/c21-16-7-3-1-5-12(16)9-13-10-23-11-15-18(13)24-20(26)25-19(15)14-6-2-4-8-17(14)22/h1-9,15,19,23H,10-11H2,(H,25,26)
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n/an/a 1.86E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434520
PNG
(CHEMBL2385771)
Show SMILES Fc1ccc(C=C2CNCC3C(NC(=O)N=C23)c2ccc(F)cc2)cc1 |w:5.4,t:15|
Show InChI InChI=1S/C20H17F2N3O/c21-15-5-1-12(2-6-15)9-14-10-23-11-17-18(24-20(26)25-19(14)17)13-3-7-16(22)8-4-13/h1-9,17-18,23H,10-11H2,(H,24,26)
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n/an/a 1.89E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434517
PNG
(CHEMBL2385774)
Show SMILES S=C1NC(C2CNCC(=Cc3ccccc3)C2=N1)c1ccccc1 |w:9.9,c:18|
Show InChI InChI=1S/C20H19N3S/c24-20-22-18(15-9-5-2-6-10-15)17-13-21-12-16(19(17)23-20)11-14-7-3-1-4-8-14/h1-11,17-18,21H,12-13H2,(H,22,24)
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n/an/a 1.93E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
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 1.93E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434519
PNG
(CHEMBL2385772)
Show SMILES Clc1ccc(C=C2CNCC3C(NC(=O)N=C23)c2ccc(Cl)cc2Cl)c(Cl)c1 |w:5.4,t:15|
Show InChI InChI=1S/C20H15Cl4N3O/c21-12-2-1-10(16(23)6-12)5-11-8-25-9-15-18(11)26-20(28)27-19(15)14-4-3-13(22)7-17(14)24/h1-7,15,19,25H,8-9H2,(H,27,28)
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n/an/a 2.35E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434527
PNG
(CHEMBL2385764)
Show SMILES Clc1ccccc1C=C1CNCC2C(NC(=O)N=C12)c1ccccc1Cl |w:7.7,t:18|
Show InChI InChI=1S/C20H17Cl2N3O/c21-16-7-3-1-5-12(16)9-13-10-23-11-15-18(13)24-20(26)25-19(15)14-6-2-4-8-17(14)22/h1-9,15,19,23H,10-11H2,(H,25,26)
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n/an/a 2.41E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434507
PNG
(CHEMBL2385784)
Show SMILES Clc1ccc(C=C2CNCC3C(NC(=S)N=C23)c2ccc(Cl)cc2Cl)c(Cl)c1 |w:5.4,t:15|
Show InChI InChI=1S/C20H15Cl4N3S/c21-12-2-1-10(16(23)6-12)5-11-8-25-9-15-18(11)26-20(28)27-19(15)14-4-3-13(22)7-17(14)24/h1-7,15,19,25H,8-9H2,(H,27,28)
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n/an/a 2.63E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434524
PNG
(CHEMBL2385767)
Show SMILES [O-][N+](=O)c1cccc(C=C2CNCC3C(NC(=O)N=C23)c2cccc(c2)[N+]([O-])=O)c1 |w:8.7,t:18|
Show InChI InChI=1S/C20H17N5O5/c26-20-22-18(13-4-2-6-16(9-13)25(29)30)17-11-21-10-14(19(17)23-20)7-12-3-1-5-15(8-12)24(27)28/h1-9,17-18,21H,10-11H2,(H,22,26)
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n/an/a 2.83E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434508
PNG
(CHEMBL2385783)
Show SMILES Fc1ccc(C=C2CNCC3C(NC(=S)N=C23)c2ccc(F)cc2)cc1 |w:5.4,t:15|
Show InChI InChI=1S/C20H17F2N3S/c21-15-5-1-12(2-6-15)9-14-10-23-11-17-18(24-20(26)25-19(14)17)13-3-7-16(22)8-4-13/h1-9,17-18,23H,10-11H2,(H,24,26)
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n/an/a 2.88E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434519
PNG
(CHEMBL2385772)
Show SMILES Clc1ccc(C=C2CNCC3C(NC(=O)N=C23)c2ccc(Cl)cc2Cl)c(Cl)c1 |w:5.4,t:15|
Show InChI InChI=1S/C20H15Cl4N3O/c21-12-2-1-10(16(23)6-12)5-11-8-25-9-15-18(11)26-20(28)27-19(15)14-4-3-13(22)7-17(14)24/h1-7,15,19,25H,8-9H2,(H,27,28)
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n/an/a 2.99E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434515
PNG
(CHEMBL2385776)
Show SMILES Clc1ccccc1C=C1CNCC2C(NC(=S)N=C12)c1ccccc1Cl |w:7.7,t:18|
Show InChI InChI=1S/C20H17Cl2N3S/c21-16-7-3-1-5-12(16)9-13-10-23-11-15-18(13)24-20(26)25-19(15)14-6-2-4-8-17(14)22/h1-9,15,19,23H,10-11H2,(H,25,26)
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n/an/a 3.24E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434512
PNG
(CHEMBL2385779)
Show SMILES [O-][N+](=O)c1cccc(C=C2CNCC3C(NC(=S)N=C23)c2cccc(c2)[N+]([O-])=O)c1 |w:8.7,t:18|
Show InChI InChI=1S/C20H17N5O4S/c26-24(27)15-5-1-3-12(8-15)7-14-10-21-11-17-18(22-20(30)23-19(14)17)13-4-2-6-16(9-13)25(28)29/h1-9,17-18,21H,10-11H2,(H,22,30)
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n/an/a 3.43E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434521
PNG
(CHEMBL2385770)
Show SMILES Clc1ccc(C=C2CNCC3C(NC(=O)N=C23)c2ccc(Cl)cc2)cc1 |w:5.4,t:15|
Show InChI InChI=1S/C20H17Cl2N3O/c21-15-5-1-12(2-6-15)9-14-10-23-11-17-18(24-20(26)25-19(14)17)13-3-7-16(22)8-4-13/h1-9,17-18,23H,10-11H2,(H,24,26)
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n/an/a 3.68E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434508
PNG
(CHEMBL2385783)
Show SMILES Fc1ccc(C=C2CNCC3C(NC(=S)N=C23)c2ccc(F)cc2)cc1 |w:5.4,t:15|
Show InChI InChI=1S/C20H17F2N3S/c21-15-5-1-12(2-6-15)9-14-10-23-11-17-18(24-20(26)25-19(14)17)13-3-7-16(22)8-4-13/h1-9,17-18,23H,10-11H2,(H,24,26)
UniProtKB/SwissProt

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n/an/a 3.72E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434510
PNG
(CHEMBL2385781)
Show SMILES Cc1ccc(C=C2CNCC3C(NC(=S)N=C23)c2ccc(C)cc2)cc1 |w:5.4,t:15|
Show InChI InChI=1S/C22H23N3S/c1-14-3-7-16(8-4-14)11-18-12-23-13-19-20(24-22(26)25-21(18)19)17-9-5-15(2)6-10-17/h3-11,19-20,23H,12-13H2,1-2H3,(H,24,26)
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n/an/a 3.75E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434516
PNG
(CHEMBL2385775)
Show SMILES Cc1ccccc1C=C1CNCC2C(NC(=S)N=C12)c1ccccc1C |w:7.7,t:18|
Show InChI InChI=1S/C22H23N3S/c1-14-7-3-5-9-16(14)11-17-12-23-13-19-20(17)24-22(26)25-21(19)18-10-6-4-8-15(18)2/h3-11,19,21,23H,12-13H2,1-2H3,(H,25,26)
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n/an/a 3.97E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434525
PNG
(CHEMBL2385766)
Show SMILES COc1ccccc1C=C1CNCC2C(NC(=O)N=C12)c1ccccc1OC |w:8.8,t:19|
Show InChI InChI=1S/C22H23N3O3/c1-27-18-9-5-3-7-14(18)11-15-12-23-13-17-20(15)24-22(26)25-21(17)16-8-4-6-10-19(16)28-2/h3-11,17,21,23H,12-13H2,1-2H3,(H,25,26)
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n/an/a 4.02E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434528
PNG
(CHEMBL2385763)
Show SMILES Cc1ccccc1C=C1CNCC2C(NC(=O)N=C12)c1ccccc1C |w:7.7,t:18|
Show InChI InChI=1S/C22H23N3O/c1-14-7-3-5-9-16(14)11-17-12-23-13-19-20(17)24-22(26)25-21(19)18-10-6-4-8-15(18)2/h3-11,19,21,23H,12-13H2,1-2H3,(H,25,26)
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n/an/a 4.04E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434514
PNG
(CHEMBL2385777)
Show SMILES Fc1ccccc1C=C1CNCC2C(NC(=S)N=C12)c1ccccc1F |w:7.7,t:18|
Show InChI InChI=1S/C20H17F2N3S/c21-16-7-3-1-5-12(16)9-13-10-23-11-15-18(13)24-20(26)25-19(15)14-6-2-4-8-17(14)22/h1-9,15,19,23H,10-11H2,(H,25,26)
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n/an/a 4.04E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434520
PNG
(CHEMBL2385771)
Show SMILES Fc1ccc(C=C2CNCC3C(NC(=O)N=C23)c2ccc(F)cc2)cc1 |w:5.4,t:15|
Show InChI InChI=1S/C20H17F2N3O/c21-15-5-1-12(2-6-15)9-14-10-23-11-17-18(24-20(26)25-19(14)17)13-3-7-16(22)8-4-13/h1-9,17-18,23H,10-11H2,(H,24,26)
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n/an/a 4.42E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434522
PNG
(CHEMBL2385769)
Show SMILES Cc1ccc(C=C2CNCC3C(NC(=O)N=C23)c2ccc(C)cc2)cc1 |w:5.4,t:15|
Show InChI InChI=1S/C22H23N3O/c1-14-3-7-16(8-4-14)11-18-12-23-13-19-20(24-22(26)25-21(18)19)17-9-5-15(2)6-10-17/h3-11,19-20,23H,12-13H2,1-2H3,(H,24,26)
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n/an/a 4.65E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50434507
PNG
(CHEMBL2385784)
Show SMILES Clc1ccc(C=C2CNCC3C(NC(=S)N=C23)c2ccc(Cl)cc2Cl)c(Cl)c1 |w:5.4,t:15|
Show InChI InChI=1S/C20H15Cl4N3S/c21-12-2-1-10(16(23)6-12)5-11-8-25-9-15-18(11)26-20(28)27-19(15)14-4-3-13(22)7-17(14)24/h1-7,15,19,25H,8-9H2,(H,27,28)
PDB

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n/an/a 4.98E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50434529
PNG
(CHEMBL2385762)
Show SMILES O=C1NC(C2CNCC(=Cc3ccccc3)C2=N1)c1ccccc1 |w:9.9,c:18|
Show InChI InChI=1S/C20H19N3O/c24-20-22-18(15-9-5-2-6-10-15)17-13-21-12-16(19(17)23-20)11-14-7-3-1-4-8-14/h1-11,17-18,21H,12-13H2,(H,22,24)
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n/an/a 6.87E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...

Bioorg Med Chem 21: 3022-31 (2013)


Article DOI: 10.1016/j.bmc.2013.03.058
BindingDB Entry DOI: 10.7270/Q2V40WK4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%