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PubMed code 27484514

Compile data set for download or QSAR
Found 107 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


(Homo sapiens (Human))		BDBM50204751
PNG
(CHEMBL3943450)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4F)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28FNO3/c1-28-22-13-18-12-19(24(27)20(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-5-3-4-6-21(17)25/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 32n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		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 41n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50204754
PNG
(CHEMBL3985059)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(F)cc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28FNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-3-5-20(25)6-4-17/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 41n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204751
PNG
(CHEMBL3943450)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4F)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28FNO3/c1-28-22-13-18-12-19(24(27)20(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-5-3-4-6-21(17)25/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 43n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
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 46n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 48n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 51n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50204831
PNG
(CHEMBL3927363)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(F)c4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28FNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)10-16-6-8-26(9-7-16)15-17-4-3-5-20(25)11-17/h3-5,11,13-14,16,19H,6-10,12,15H2,1-2H3
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n/an/a 54n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204835
PNG
(CHEMBL3933395)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4Cl)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28ClNO3/c1-28-22-13-18-12-19(24(27)20(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-5-3-4-6-21(17)25/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 60n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204831
PNG
(CHEMBL3927363)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(F)c4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28FNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)10-16-6-8-26(9-7-16)15-17-4-3-5-20(25)11-17/h3-5,11,13-14,16,19H,6-10,12,15H2,1-2H3
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n/an/a 68n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50204752
PNG
(CHEMBL3919441)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(C)n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H30N2O3/c1-16-5-4-6-20(25-16)15-26-9-7-17(8-10-26)11-19-12-18-13-22(28-2)23(29-3)14-21(18)24(19)27/h4-6,13-14,17,19H,7-12,15H2,1-3H3
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n/an/a 73n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204752
PNG
(CHEMBL3919441)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(C)n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H30N2O3/c1-16-5-4-6-20(25-16)15-26-9-7-17(8-10-26)11-19-12-18-13-22(28-2)23(29-3)14-21(18)24(19)27/h4-6,13-14,17,19H,7-12,15H2,1-3H3
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n/an/a 85n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50029944
PNG
(5,6-Dimethoxy-2-[1-(3-methyl-benzyl)-piperidin-4-y...)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(C)c4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-17-5-4-6-19(11-17)16-26-9-7-18(8-10-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-6,11,14-15,18,21H,7-10,12-13,16H2,1-3H3
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n/an/a 88n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50204835
PNG
(CHEMBL3933395)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4Cl)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28ClNO3/c1-28-22-13-18-12-19(24(27)20(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-5-3-4-6-21(17)25/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 97n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50029921
PNG
(5,6-Dimethoxy-2-[1-(2-nitro-benzyl)-piperidin-4-yl...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4[N+]([O-])=O)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-30-22-13-18-12-19(24(27)20(18)14-23(22)31-2)11-16-7-9-25(10-8-16)15-17-5-3-4-6-21(17)26(28)29/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 106n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204758
PNG
(CHEMBL3891369)
Show SMILES COc1cc2CC(CC3CCN(Cc4ncccc4C)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H30N2O3/c1-16-5-4-8-25-21(16)15-26-9-6-17(7-10-26)11-19-12-18-13-22(28-2)23(29-3)14-20(18)24(19)27/h4-5,8,13-14,17,19H,6-7,9-12,15H2,1-3H3
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n/an/a 108n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50029944
PNG
(5,6-Dimethoxy-2-[1-(3-methyl-benzyl)-piperidin-4-y...)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(C)c4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-17-5-4-6-19(11-17)16-26-9-7-18(8-10-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-6,11,14-15,18,21H,7-10,12-13,16H2,1-3H3
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n/an/a 108n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50204758
PNG
(CHEMBL3891369)
Show SMILES COc1cc2CC(CC3CCN(Cc4ncccc4C)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H30N2O3/c1-16-5-4-8-25-21(16)15-26-9-6-17(7-10-26)11-19-12-18-13-22(28-2)23(29-3)14-20(18)24(19)27/h4-5,8,13-14,17,19H,6-7,9-12,15H2,1-3H3
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n/an/a 113n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50204757
PNG
(CHEMBL3960861)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(Cl)c4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28ClNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)10-16-6-8-26(9-7-16)15-17-4-3-5-20(25)11-17/h3-5,11,13-14,16,19H,6-10,12,15H2,1-2H3
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n/an/a 114n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50029937
PNG
(5,6-Dimethoxy-2-[1-(4-methyl-benzyl)-piperidin-4-y...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(C)cc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-17-4-6-19(7-5-17)16-26-10-8-18(9-11-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-7,14-15,18,21H,8-13,16H2,1-3H3
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n/an/a 127n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204754
PNG
(CHEMBL3985059)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(F)cc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28FNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-3-5-20(25)6-4-17/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 130n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50204755
PNG
(CHEMBL3910513)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccn4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H28N2O3/c1-27-21-13-17-12-18(23(26)20(17)14-22(21)28-2)11-16-6-9-25(10-7-16)15-19-5-3-4-8-24-19/h3-5,8,13-14,16,18H,6-7,9-12,15H2,1-2H3
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50029945
PNG
(5,6-Dimethoxy-2-[1-(2-methyl-benzyl)-piperidin-4-y...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4C)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-17-6-4-5-7-19(17)16-26-10-8-18(9-11-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-7,14-15,18,21H,8-13,16H2,1-3H3
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n/an/a 184n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50204830
PNG
(CHEMBL3928343)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(F)n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27FN2O3/c1-28-20-12-16-11-17(23(27)19(16)13-21(20)29-2)10-15-6-8-26(9-7-15)14-18-4-3-5-22(24)25-18/h3-5,12-13,15,17H,6-11,14H2,1-2H3
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204829
PNG
(CHEMBL3961494)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(c4)C(F)(F)F)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H28F3NO3/c1-31-22-13-18-12-19(24(30)21(18)14-23(22)32-2)10-16-6-8-29(9-7-16)15-17-4-3-5-20(11-17)25(26,27)28/h3-5,11,13-14,16,19H,6-10,12,15H2,1-2H3
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n/an/a 197n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
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 218n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50029937
PNG
(5,6-Dimethoxy-2-[1-(4-methyl-benzyl)-piperidin-4-y...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(C)cc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-17-4-6-19(7-5-17)16-26-10-8-18(9-11-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-7,14-15,18,21H,8-13,16H2,1-3H3
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n/an/a 221n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204757
PNG
(CHEMBL3960861)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(Cl)c4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28ClNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)10-16-6-8-26(9-7-16)15-17-4-3-5-20(25)11-17/h3-5,11,13-14,16,19H,6-10,12,15H2,1-2H3
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n/an/a 237n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50029945
PNG
(5,6-Dimethoxy-2-[1-(2-methyl-benzyl)-piperidin-4-y...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4C)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-17-6-4-5-7-19(17)16-26-10-8-18(9-11-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-7,14-15,18,21H,8-13,16H2,1-3H3
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n/an/a 243n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204830
PNG
(CHEMBL3928343)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(F)n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27FN2O3/c1-28-20-12-16-11-17(23(27)19(16)13-21(20)29-2)10-15-6-8-26(9-7-15)14-18-4-3-5-22(24)25-18/h3-5,12-13,15,17H,6-11,14H2,1-2H3
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n/an/a 246n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204838
PNG
(CHEMBL3973337)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(Br)n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27BrN2O3/c1-28-20-12-16-11-17(23(27)19(16)13-21(20)29-2)10-15-6-8-26(9-7-15)14-18-4-3-5-22(24)25-18/h3-5,12-13,15,17H,6-11,14H2,1-2H3
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n/an/a 253n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204761
PNG
(CHEMBL3944652)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(Cl)n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27ClN2O3/c1-28-20-12-16-11-17(23(27)19(16)13-21(20)29-2)10-15-6-8-26(9-7-15)14-18-4-3-5-22(24)25-18/h3-5,12-13,15,17H,6-11,14H2,1-2H3
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China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50029932
PNG
(5,6-Dimethoxy-2-[1-(3-nitro-benzyl)-piperidin-4-yl...)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(c4)[N+]([O-])=O)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-30-22-13-18-12-19(24(27)21(18)14-23(22)31-2)10-16-6-8-25(9-7-16)15-17-4-3-5-20(11-17)26(28)29/h3-5,11,13-14,16,19H,6-10,12,15H2,1-2H3
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n/an/a 414n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		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 459n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204750
PNG
(CHEMBL3889713)
Show SMILES COC(=O)c1cccc(CN2CCC(CC3Cc4cc(OC)c(OC)cc4C3=O)CC2)n1
Show InChI InChI=1S/C25H30N2O5/c1-30-22-13-17-12-18(24(28)20(17)14-23(22)31-2)11-16-7-9-27(10-8-16)15-19-5-4-6-21(26-19)25(29)32-3/h4-6,13-14,16,18H,7-12,15H2,1-3H3
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n/an/a 511n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50029932
PNG
(5,6-Dimethoxy-2-[1-(3-nitro-benzyl)-piperidin-4-yl...)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(c4)[N+]([O-])=O)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-30-22-13-18-12-19(24(27)21(18)14-23(22)31-2)10-16-6-8-25(9-7-16)15-17-4-3-5-20(11-17)26(28)29/h3-5,11,13-14,16,19H,6-10,12,15H2,1-2H3
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n/an/a 652n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204760
PNG
(CHEMBL3890758)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4C(F)(F)F)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H28F3NO3/c1-31-22-13-18-12-19(24(30)20(18)14-23(22)32-2)11-16-7-9-29(10-8-16)15-17-5-3-4-6-21(17)25(26,27)28/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 700n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50204837
PNG
(CHEMBL3900401)
Show SMILES COc1cc2CC(CC3CCN(Cc4ncc(C)cc4C)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H32N2O3/c1-16-9-17(2)22(26-14-16)15-27-7-5-18(6-8-27)10-20-11-19-12-23(29-3)24(30-4)13-21(19)25(20)28/h9,12-14,18,20H,5-8,10-11,15H2,1-4H3
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n/an/a 814n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50204761
PNG
(CHEMBL3944652)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(Cl)n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27ClN2O3/c1-28-20-12-16-11-17(23(27)19(16)13-21(20)29-2)10-15-6-8-26(9-7-15)14-18-4-3-5-22(24)25-18/h3-5,12-13,15,17H,6-11,14H2,1-2H3
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n/an/a 883n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204837
PNG
(CHEMBL3900401)
Show SMILES COc1cc2CC(CC3CCN(Cc4ncc(C)cc4C)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H32N2O3/c1-16-9-17(2)22(26-14-16)15-27-7-5-18(6-8-27)10-20-11-19-12-23(29-3)24(30-4)13-21(19)25(20)28/h9,12-14,18,20H,5-8,10-11,15H2,1-4H3
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n/an/a 1.01E+3n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204755
PNG
(CHEMBL3910513)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccn4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H28N2O3/c1-27-21-13-17-12-18(23(26)20(17)14-22(21)28-2)11-16-6-9-25(10-7-16)15-19-5-3-4-8-24-19/h3-5,8,13-14,16,18H,6-7,9-12,15H2,1-2H3
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n/an/a 1.09E+3n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50029934
PNG
(5,6-Dimethoxy-2-[1-(4-nitro-benzyl)-piperidin-4-yl...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(cc4)[N+]([O-])=O)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-30-22-13-18-12-19(24(27)21(18)14-23(22)31-2)11-16-7-9-25(10-8-16)15-17-3-5-20(6-4-17)26(28)29/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 1.91E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50204838
PNG
(CHEMBL3973337)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(Br)n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27BrN2O3/c1-28-20-12-16-11-17(23(27)19(16)13-21(20)29-2)10-15-6-8-26(9-7-15)14-18-4-3-5-22(24)25-18/h3-5,12-13,15,17H,6-11,14H2,1-2H3
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n/an/a 1.98E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204833
PNG
(CHEMBL3892502)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H28F3NO3/c1-31-22-13-18-12-19(24(30)21(18)14-23(22)32-2)11-16-7-9-29(10-8-16)15-17-3-5-20(6-4-17)25(26,27)28/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 2.03E+3n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50204829
PNG
(CHEMBL3961494)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(c4)C(F)(F)F)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H28F3NO3/c1-31-22-13-18-12-19(24(30)21(18)14-23(22)32-2)10-16-6-8-29(9-7-16)15-17-4-3-5-20(11-17)25(26,27)28/h3-5,11,13-14,16,19H,6-10,12,15H2,1-2H3
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n/an/a 2.12E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204754
PNG
(CHEMBL3985059)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(F)cc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28FNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-3-5-20(25)6-4-17/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 2.31E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 2.48E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204831
PNG
(CHEMBL3927363)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(F)c4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28FNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)10-16-6-8-26(9-7-16)15-17-4-3-5-20(25)11-17/h3-5,11,13-14,16,19H,6-10,12,15H2,1-2H3
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n/an/a 2.66E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50204836
PNG
(CHEMBL3926911)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(Cl)cc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28ClNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-3-5-20(25)6-4-17/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 2.86E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50029921
PNG
(5,6-Dimethoxy-2-[1-(2-nitro-benzyl)-piperidin-4-yl...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4[N+]([O-])=O)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-30-22-13-18-12-19(24(27)20(18)14-23(22)31-2)11-16-7-9-25(10-8-16)15-17-5-3-4-6-21(17)26(28)29/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 3.11E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 3.17E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204835
PNG
(CHEMBL3933395)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4Cl)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28ClNO3/c1-28-22-13-18-12-19(24(27)20(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-5-3-4-6-21(17)25/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204751
PNG
(CHEMBL3943450)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4F)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28FNO3/c1-28-22-13-18-12-19(24(27)20(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-5-3-4-6-21(17)25/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 3.71E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204833
PNG
(CHEMBL3892502)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H28F3NO3/c1-31-22-13-18-12-19(24(30)21(18)14-23(22)32-2)11-16-7-9-29(10-8-16)15-17-3-5-20(6-4-17)25(26,27)28/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 3.98E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50029934
PNG
(5,6-Dimethoxy-2-[1-(4-nitro-benzyl)-piperidin-4-yl...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(cc4)[N+]([O-])=O)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-30-22-13-18-12-19(24(27)21(18)14-23(22)31-2)11-16-7-9-25(10-8-16)15-17-3-5-20(6-4-17)26(28)29/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 4.02E+3n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204756
PNG
(CHEMBL3934564)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc5cccc(O)c5n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H30N2O4/c1-32-24-14-19-13-20(27(31)22(19)15-25(24)33-2)12-17-8-10-29(11-9-17)16-21-7-6-18-4-3-5-23(30)26(18)28-21/h3-7,14-15,17,20,30H,8-13,16H2,1-2H3
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n/an/a 4.53E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204836
PNG
(CHEMBL3926911)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(Cl)cc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28ClNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-3-5-20(25)6-4-17/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50204760
PNG
(CHEMBL3890758)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4C(F)(F)F)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H28F3NO3/c1-31-22-13-18-12-19(24(30)20(18)14-23(22)32-2)11-16-7-9-29(10-8-16)15-17-5-3-4-6-21(17)25(26,27)28/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 4.87E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50204833
PNG
(CHEMBL3892502)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H28F3NO3/c1-31-22-13-18-12-19(24(30)21(18)14-23(22)32-2)11-16-7-9-29(10-8-16)15-17-3-5-20(6-4-17)25(26,27)28/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 5.43E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50204750
PNG
(CHEMBL3889713)
Show SMILES COC(=O)c1cccc(CN2CCC(CC3Cc4cc(OC)c(OC)cc4C3=O)CC2)n1
Show InChI InChI=1S/C25H30N2O5/c1-30-22-13-17-12-18(24(28)20(17)14-23(22)31-2)11-16-7-9-27(10-8-16)15-19-5-4-6-21(26-19)25(29)32-3/h4-6,13-14,16,18H,7-12,15H2,1-3H3
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n/an/a 5.78E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50029944
PNG
(5,6-Dimethoxy-2-[1-(3-methyl-benzyl)-piperidin-4-y...)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(C)c4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-17-5-4-6-19(11-17)16-26-9-7-18(8-10-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-6,11,14-15,18,21H,7-10,12-13,16H2,1-3H3
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n/an/a 5.83E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204837
PNG
(CHEMBL3900401)
Show SMILES COc1cc2CC(CC3CCN(Cc4ncc(C)cc4C)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H32N2O3/c1-16-9-17(2)22(26-14-16)15-27-7-5-18(6-8-27)10-20-11-19-12-23(29-3)24(30-4)13-21(19)25(20)28/h9,12-14,18,20H,5-8,10-11,15H2,1-4H3
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n/an/a 6.31E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204759
PNG
(CHEMBL3889625)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc5ccccc5n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H30N2O3/c1-31-25-15-20-14-21(27(30)23(20)16-26(25)32-2)13-18-9-11-29(12-10-18)17-22-8-7-19-5-3-4-6-24(19)28-22/h3-8,15-16,18,21H,9-14,17H2,1-2H3
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n/an/a 6.35E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204756
PNG
(CHEMBL3934564)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc5cccc(O)c5n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H30N2O4/c1-32-24-14-19-13-20(27(31)22(19)15-25(24)33-2)12-17-8-10-29(11-9-17)16-21-7-6-18-4-3-5-23(30)26(18)28-21/h3-7,14-15,17,20,30H,8-13,16H2,1-2H3
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n/an/a 6.42E+3n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50029937
PNG
(5,6-Dimethoxy-2-[1-(4-methyl-benzyl)-piperidin-4-y...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(C)cc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-17-4-6-19(7-5-17)16-26-10-8-18(9-11-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-7,14-15,18,21H,8-13,16H2,1-3H3
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n/an/a 6.67E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204753
PNG
(CHEMBL3950063)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(O)c5ncccc45)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H30N2O4/c1-32-24-14-19-13-20(27(31)22(19)15-25(24)33-2)12-17-7-10-29(11-8-17)16-18-5-6-23(30)26-21(18)4-3-9-28-26/h3-6,9,14-15,17,20,30H,7-8,10-13,16H2,1-2H3
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n/an/a 7.65E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204755
PNG
(CHEMBL3910513)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccn4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H28N2O3/c1-27-21-13-17-12-18(23(26)20(17)14-22(21)28-2)11-16-6-9-25(10-7-16)15-19-5-3-4-8-24-19/h3-5,8,13-14,16,18H,6-7,9-12,15H2,1-2H3
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n/an/a 7.83E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204754
PNG
(CHEMBL3985059)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(F)cc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28FNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-3-5-20(25)6-4-17/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 8.13E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50204759
PNG
(CHEMBL3889625)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc5ccccc5n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H30N2O3/c1-31-25-15-20-14-21(27(30)23(20)16-26(25)32-2)13-18-9-11-29(12-10-18)17-22-8-7-19-5-3-4-6-24(19)28-22/h3-8,15-16,18,21H,9-14,17H2,1-2H3
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n/an/a 8.43E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204837
PNG
(CHEMBL3900401)
Show SMILES COc1cc2CC(CC3CCN(Cc4ncc(C)cc4C)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H32N2O3/c1-16-9-17(2)22(26-14-16)15-27-7-5-18(6-8-27)10-20-11-19-12-23(29-3)24(30-4)13-21(19)25(20)28/h9,12-14,18,20H,5-8,10-11,15H2,1-4H3
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n/an/a 8.55E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204759
PNG
(CHEMBL3889625)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc5ccccc5n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H30N2O3/c1-31-25-15-20-14-21(27(30)23(20)16-26(25)32-2)13-18-9-11-29(12-10-18)17-22-8-7-19-5-3-4-6-24(19)28-22/h3-8,15-16,18,21H,9-14,17H2,1-2H3
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n/an/a 8.71E+3n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204759
PNG
(CHEMBL3889625)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc5ccccc5n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H30N2O3/c1-31-25-15-20-14-21(27(30)23(20)16-26(25)32-2)13-18-9-11-29(12-10-18)17-22-8-7-19-5-3-4-6-24(19)28-22/h3-8,15-16,18,21H,9-14,17H2,1-2H3
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n/an/a 9.68E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50029934
PNG
(5,6-Dimethoxy-2-[1-(4-nitro-benzyl)-piperidin-4-yl...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(cc4)[N+]([O-])=O)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-30-22-13-18-12-19(24(27)21(18)14-23(22)31-2)11-16-7-9-25(10-8-16)15-17-3-5-20(6-4-17)26(28)29/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 1.22E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204751
PNG
(CHEMBL3943450)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4F)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28FNO3/c1-28-22-13-18-12-19(24(27)20(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-5-3-4-6-21(17)25/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 1.28E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204758
PNG
(CHEMBL3891369)
Show SMILES COc1cc2CC(CC3CCN(Cc4ncccc4C)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H30N2O3/c1-16-5-4-8-25-21(16)15-26-9-6-17(7-10-26)11-19-12-18-13-22(28-2)23(29-3)14-20(18)24(19)27/h4-5,8,13-14,17,19H,6-7,9-12,15H2,1-3H3
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n/an/a 1.56E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204838
PNG
(CHEMBL3973337)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(Br)n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27BrN2O3/c1-28-20-12-16-11-17(23(27)19(16)13-21(20)29-2)10-15-6-8-26(9-7-15)14-18-4-3-5-22(24)25-18/h3-5,12-13,15,17H,6-11,14H2,1-2H3
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n/an/a 1.75E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204829
PNG
(CHEMBL3961494)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(c4)C(F)(F)F)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H28F3NO3/c1-31-22-13-18-12-19(24(30)21(18)14-23(22)32-2)10-16-6-8-29(9-7-16)15-17-4-3-5-20(11-17)25(26,27)28/h3-5,11,13-14,16,19H,6-10,12,15H2,1-2H3
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n/an/a 1.82E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204835
PNG
(CHEMBL3933395)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4Cl)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28ClNO3/c1-28-22-13-18-12-19(24(27)20(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-5-3-4-6-21(17)25/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 1.88E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204752
PNG
(CHEMBL3919441)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(C)n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H30N2O3/c1-16-5-4-6-20(25-16)15-26-9-7-17(8-10-26)11-19-12-18-13-22(28-2)23(29-3)14-21(18)24(19)27/h4-6,13-14,17,19H,7-12,15H2,1-3H3
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n/an/a 2.05E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50204753
PNG
(CHEMBL3950063)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(O)c5ncccc45)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H30N2O4/c1-32-24-14-19-13-20(27(31)22(19)15-25(24)33-2)12-17-7-10-29(11-8-17)16-18-5-6-23(30)26-21(18)4-3-9-28-26/h3-6,9,14-15,17,20,30H,7-8,10-13,16H2,1-2H3
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n/an/a 2.09E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204830
PNG
(CHEMBL3928343)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(F)n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27FN2O3/c1-28-20-12-16-11-17(23(27)19(16)13-21(20)29-2)10-15-6-8-26(9-7-15)14-18-4-3-5-22(24)25-18/h3-5,12-13,15,17H,6-11,14H2,1-2H3
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n/an/a 2.11E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204750
PNG
(CHEMBL3889713)
Show SMILES COC(=O)c1cccc(CN2CCC(CC3Cc4cc(OC)c(OC)cc4C3=O)CC2)n1
Show InChI InChI=1S/C25H30N2O5/c1-30-22-13-17-12-18(24(28)20(17)14-23(22)31-2)11-16-7-9-27(10-8-16)15-19-5-4-6-21(26-19)25(29)32-3/h4-6,13-14,16,18H,7-12,15H2,1-3H3
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n/an/a 2.54E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204831
PNG
(CHEMBL3927363)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(F)c4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28FNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)10-16-6-8-26(9-7-16)15-17-4-3-5-20(25)11-17/h3-5,11,13-14,16,19H,6-10,12,15H2,1-2H3
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n/an/a 2.67E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204753
PNG
(CHEMBL3950063)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(O)c5ncccc45)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H30N2O4/c1-32-24-14-19-13-20(27(31)22(19)15-25(24)33-2)12-17-7-10-29(11-8-17)16-18-5-6-23(30)26-21(18)4-3-9-28-26/h3-6,9,14-15,17,20,30H,7-8,10-13,16H2,1-2H3
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n/an/a 2.73E+4n/an/an/an/an/an/a



China Pharmaceutical 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 up to 3 m...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50029944
PNG
(5,6-Dimethoxy-2-[1-(3-methyl-benzyl)-piperidin-4-y...)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(C)c4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-17-5-4-6-19(11-17)16-26-9-7-18(8-10-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-6,11,14-15,18,21H,7-10,12-13,16H2,1-3H3
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n/an/a 2.81E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204750
PNG
(CHEMBL3889713)
Show SMILES COC(=O)c1cccc(CN2CCC(CC3Cc4cc(OC)c(OC)cc4C3=O)CC2)n1
Show InChI InChI=1S/C25H30N2O5/c1-30-22-13-17-12-18(24(28)20(17)14-23(22)31-2)11-16-7-9-27(10-8-16)15-19-5-4-6-21(26-19)25(29)32-3/h4-6,13-14,16,18H,7-12,15H2,1-3H3
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n/an/a 2.95E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50204756
PNG
(CHEMBL3934564)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc5cccc(O)c5n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H30N2O4/c1-32-24-14-19-13-20(27(31)22(19)15-25(24)33-2)12-17-8-10-29(11-9-17)16-21-7-6-18-4-3-5-23(30)26(18)28-21/h3-7,14-15,17,20,30H,8-13,16H2,1-2H3
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n/an/a 2.98E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50029921
PNG
(5,6-Dimethoxy-2-[1-(2-nitro-benzyl)-piperidin-4-yl...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4[N+]([O-])=O)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-30-22-13-18-12-19(24(27)20(18)14-23(22)31-2)11-16-7-9-25(10-8-16)15-17-5-3-4-6-21(17)26(28)29/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 3.11E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204761
PNG
(CHEMBL3944652)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(Cl)n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27ClN2O3/c1-28-20-12-16-11-17(23(27)19(16)13-21(20)29-2)10-15-6-8-26(9-7-15)14-18-4-3-5-22(24)25-18/h3-5,12-13,15,17H,6-11,14H2,1-2H3
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n/an/a 3.16E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204760
PNG
(CHEMBL3890758)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4C(F)(F)F)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H28F3NO3/c1-31-22-13-18-12-19(24(30)20(18)14-23(22)32-2)11-16-7-9-29(10-8-16)15-17-5-3-4-6-21(17)25(26,27)28/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 3.17E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204756
PNG
(CHEMBL3934564)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc5cccc(O)c5n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H30N2O4/c1-32-24-14-19-13-20(27(31)22(19)15-25(24)33-2)12-17-8-10-29(11-9-17)16-21-7-6-18-4-3-5-23(30)26(18)28-21/h3-7,14-15,17,20,30H,8-13,16H2,1-2H3
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n/an/a 3.74E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50029945
PNG
(5,6-Dimethoxy-2-[1-(2-methyl-benzyl)-piperidin-4-y...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4C)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-17-6-4-5-7-19(17)16-26-10-8-18(9-11-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-7,14-15,18,21H,8-13,16H2,1-3H3
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n/an/a 3.81E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204755
PNG
(CHEMBL3910513)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccn4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H28N2O3/c1-27-21-13-17-12-18(23(26)20(17)14-22(21)28-2)11-16-6-9-25(10-7-16)15-19-5-3-4-8-24-19/h3-5,8,13-14,16,18H,6-7,9-12,15H2,1-2H3
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n/an/a 3.86E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204830
PNG
(CHEMBL3928343)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(F)n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27FN2O3/c1-28-20-12-16-11-17(23(27)19(16)13-21(20)29-2)10-15-6-8-26(9-7-15)14-18-4-3-5-22(24)25-18/h3-5,12-13,15,17H,6-11,14H2,1-2H3
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n/an/a 3.89E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204760
PNG
(CHEMBL3890758)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4C(F)(F)F)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H28F3NO3/c1-31-22-13-18-12-19(24(30)20(18)14-23(22)32-2)11-16-7-9-29(10-8-16)15-17-5-3-4-6-21(17)25(26,27)28/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 4.14E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50029932
PNG
(5,6-Dimethoxy-2-[1-(3-nitro-benzyl)-piperidin-4-yl...)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(c4)[N+]([O-])=O)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-30-22-13-18-12-19(24(27)21(18)14-23(22)31-2)10-16-6-8-25(9-7-16)15-17-4-3-5-20(11-17)26(28)29/h3-5,11,13-14,16,19H,6-10,12,15H2,1-2H3
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n/an/a 4.24E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50029937
PNG
(5,6-Dimethoxy-2-[1-(4-methyl-benzyl)-piperidin-4-y...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(C)cc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-17-4-6-19(7-5-17)16-26-10-8-18(9-11-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-7,14-15,18,21H,8-13,16H2,1-3H3
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n/an/a 4.38E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204758
PNG
(CHEMBL3891369)
Show SMILES COc1cc2CC(CC3CCN(Cc4ncccc4C)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H30N2O3/c1-16-5-4-8-25-21(16)15-26-9-6-17(7-10-26)11-19-12-18-13-22(28-2)23(29-3)14-20(18)24(19)27/h4-5,8,13-14,17,19H,6-7,9-12,15H2,1-3H3
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n/an/a 4.92E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204757
PNG
(CHEMBL3960861)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(Cl)c4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28ClNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)10-16-6-8-26(9-7-16)15-17-4-3-5-20(25)11-17/h3-5,11,13-14,16,19H,6-10,12,15H2,1-2H3
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n/an/a 5.02E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204752
PNG
(CHEMBL3919441)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(C)n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H30N2O3/c1-16-5-4-6-20(25-16)15-26-9-7-17(8-10-26)11-19-12-18-13-22(28-2)23(29-3)14-21(18)24(19)27/h4-6,13-14,17,19H,7-12,15H2,1-3H3
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n/an/a 6.57E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204757
PNG
(CHEMBL3960861)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(Cl)c4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28ClNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)10-16-6-8-26(9-7-16)15-17-4-3-5-20(25)11-17/h3-5,11,13-14,16,19H,6-10,12,15H2,1-2H3
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n/an/a 6.89E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204829
PNG
(CHEMBL3961494)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(c4)C(F)(F)F)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H28F3NO3/c1-31-22-13-18-12-19(24(30)21(18)14-23(22)32-2)10-16-6-8-29(9-7-16)15-17-4-3-5-20(11-17)25(26,27)28/h3-5,11,13-14,16,19H,6-10,12,15H2,1-2H3
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n/an/a 7.69E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204761
PNG
(CHEMBL3944652)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(Cl)n4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27ClN2O3/c1-28-20-12-16-11-17(23(27)19(16)13-21(20)29-2)10-15-6-8-26(9-7-15)14-18-4-3-5-22(24)25-18/h3-5,12-13,15,17H,6-11,14H2,1-2H3
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n/an/a 7.87E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204836
PNG
(CHEMBL3926911)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(Cl)cc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28ClNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-3-5-20(25)6-4-17/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 8.16E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50029934
PNG
(5,6-Dimethoxy-2-[1-(4-nitro-benzyl)-piperidin-4-yl...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(cc4)[N+]([O-])=O)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-30-22-13-18-12-19(24(27)21(18)14-23(22)31-2)11-16-7-9-25(10-8-16)15-17-3-5-20(6-4-17)26(28)29/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 8.58E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50204836
PNG
(CHEMBL3926911)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(Cl)cc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28ClNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-3-5-20(25)6-4-17/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 8.94E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50029921
PNG
(5,6-Dimethoxy-2-[1-(2-nitro-benzyl)-piperidin-4-yl...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4[N+]([O-])=O)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-30-22-13-18-12-19(24(27)20(18)14-23(22)31-2)11-16-7-9-25(10-8-16)15-17-5-3-4-6-21(17)26(28)29/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 9.12E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...

Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%