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Compile Data Set for Download or QSAR

Found 102 hits Enz. Inhib. hit(s) with all data for entry = 50003282   
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))		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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 38n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition by Lineweaver-B...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469009
PNG
(CHEMBL4292766)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3F)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H43FN2O2/c1-30(2,3)25-19-23(20-26(29(25)36)31(4,5)6)11-12-28(35)33-16-13-22-14-17-34(18-15-22)21-24-9-7-8-10-27(24)32/h7-12,19-20,22,36H,13-18,21H2,1-6H3,(H,33,35)/b12-11+
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 1.40E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition by Lineweaver-B...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469008
PNG
(CHEMBL4283390)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H44N2O2/c1-30(2,3)26-20-25(21-27(29(26)35)31(4,5)6)12-13-28(34)32-17-14-23-15-18-33(19-16-23)22-24-10-8-7-9-11-24/h7-13,20-21,23,35H,14-19,22H2,1-6H3,(H,32,34)/b13-12+
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 3.20E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition by Lineweaver-B...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
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 erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
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 50n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50469009
PNG
(CHEMBL4292766)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3F)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H43FN2O2/c1-30(2,3)25-19-23(20-26(29(25)36)31(4,5)6)11-12-28(35)33-16-13-22-14-17-34(18-15-22)21-24-9-7-8-10-27(24)32/h7-12,19-20,22,36H,13-18,21H2,1-6H3,(H,33,35)/b12-11+
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n/an/a 75n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50469018
PNG
(CHEMBL4284475)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(F)cc3)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H43FN2O2/c1-30(2,3)26-19-24(20-27(29(26)36)31(4,5)6)9-12-28(35)33-16-13-22-14-17-34(18-15-22)21-23-7-10-25(32)11-8-23/h7-12,19-20,22,36H,13-18,21H2,1-6H3,(H,33,35)/b12-9+
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n/an/a 320n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50469020
PNG
(CHEMBL3819548)
Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)\C=C\c1ccccc1
Show InChI InChI=1S/C23H28N2O/c26-23(12-11-20-7-3-1-4-8-20)24-16-13-21-14-17-25(18-15-21)19-22-9-5-2-6-10-22/h1-12,21H,13-19H2,(H,24,26)/b12-11+
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n/an/a 390n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50469003
PNG
(CHEMBL4281066)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(F)c(F)c3)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H42F2N2O2/c1-30(2,3)24-17-22(18-25(29(24)37)31(4,5)6)8-10-28(36)34-14-11-21-12-15-35(16-13-21)20-23-7-9-26(32)27(33)19-23/h7-10,17-19,21,37H,11-16,20H2,1-6H3,(H,34,36)/b10-8+
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n/an/a 420n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469020
PNG
(CHEMBL3819548)
Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)\C=C\c1ccccc1
Show InChI InChI=1S/C23H28N2O/c26-23(12-11-20-7-3-1-4-8-20)24-16-13-21-14-17-25(18-15-21)19-22-9-5-2-6-10-22/h1-12,21H,13-19H2,(H,24,26)/b12-11+
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n/an/a 450n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50469008
PNG
(CHEMBL4283390)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H44N2O2/c1-30(2,3)26-20-25(21-27(29(26)35)31(4,5)6)12-13-28(34)32-17-14-23-15-18-33(19-16-23)22-24-10-8-7-9-11-24/h7-13,20-21,23,35H,14-19,22H2,1-6H3,(H,32,34)/b13-12+
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n/an/a 530n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50469020
PNG
(CHEMBL3819548)
Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)\C=C\c1ccccc1
Show InChI InChI=1S/C23H28N2O/c26-23(12-11-20-7-3-1-4-8-20)24-16-13-21-14-17-25(18-15-21)19-22-9-5-2-6-10-22/h1-12,21H,13-19H2,(H,24,26)/b12-11+
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n/an/a 550n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50469001
PNG
(CHEMBL4291697)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(F)cc3F)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H42F2N2O2/c1-30(2,3)25-17-22(18-26(29(25)37)31(4,5)6)7-10-28(36)34-14-11-21-12-15-35(16-13-21)20-23-8-9-24(32)19-27(23)33/h7-10,17-19,21,37H,11-16,20H2,1-6H3,(H,34,36)/b10-7+
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n/an/a 560n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50469012
PNG
(CHEMBL4293155)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3Cl)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H43ClN2O2/c1-30(2,3)25-19-23(20-26(29(25)36)31(4,5)6)11-12-28(35)33-16-13-22-14-17-34(18-15-22)21-24-9-7-8-10-27(24)32/h7-12,19-20,22,36H,13-18,21H2,1-6H3,(H,33,35)/b12-11+
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n/an/a 590n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50469000
PNG
(CHEMBL4295126)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3cccc(F)c3)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H43FN2O2/c1-30(2,3)26-19-23(20-27(29(26)36)31(4,5)6)10-11-28(35)33-15-12-22-13-16-34(17-14-22)21-24-8-7-9-25(32)18-24/h7-11,18-20,22,36H,12-17,21H2,1-6H3,(H,33,35)/b11-10+
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n/an/a 680n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50469017
PNG
(CHEMBL4284895)
Show SMILES Cc1ccc(CN2CCC(CCNC(=O)\C=C\c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)CC2)cc1
Show InChI InChI=1S/C32H46N2O2/c1-23-8-10-25(11-9-23)22-34-18-15-24(16-19-34)14-17-33-29(35)13-12-26-20-27(31(2,3)4)30(36)28(21-26)32(5,6)7/h8-13,20-21,24,36H,14-19,22H2,1-7H3,(H,33,35)/b13-12+
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n/an/a 720n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50469022
PNG
(CHEMBL4282558)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3cccc(Cl)c3)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H43ClN2O2/c1-30(2,3)26-19-23(20-27(29(26)36)31(4,5)6)10-11-28(35)33-15-12-22-13-16-34(17-14-22)21-24-8-7-9-25(32)18-24/h7-11,18-20,22,36H,12-17,21H2,1-6H3,(H,33,35)/b11-10+
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n/an/a 740n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469009
PNG
(CHEMBL4292766)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3F)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H43FN2O2/c1-30(2,3)25-19-23(20-26(29(25)36)31(4,5)6)11-12-28(35)33-16-13-22-14-17-34(18-15-22)21-24-9-7-8-10-27(24)32/h7-12,19-20,22,36H,13-18,21H2,1-6H3,(H,33,35)/b12-11+
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n/an/a 750n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50469015
PNG
(CHEMBL4278260)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(cc3)C#N)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C32H43N3O2/c1-31(2,3)27-19-26(20-28(30(27)37)32(4,5)6)11-12-29(36)34-16-13-23-14-17-35(18-15-23)22-25-9-7-24(21-33)8-10-25/h7-12,19-20,23,37H,13-18,22H2,1-6H3,(H,34,36)/b12-11+
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n/an/a 770n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50195836
PNG
(CHEMBL3819320)
Show SMILES Oc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H28N2O2/c26-22-9-6-19(7-10-22)8-11-23(27)24-15-12-20-13-16-25(17-14-20)18-21-4-2-1-3-5-21/h1-11,20,26H,12-18H2,(H,24,27)/b11-8+
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n/an/a 810n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50469011
PNG
(CHEMBL4288282)
Show SMILES COc1ccc(CN2CCC(CCNC(=O)\C=C\c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)CC2)cc1
Show InChI InChI=1S/C32H46N2O3/c1-31(2,3)27-20-25(21-28(30(27)36)32(4,5)6)10-13-29(35)33-17-14-23-15-18-34(19-16-23)22-24-8-11-26(37-7)12-9-24/h8-13,20-21,23,36H,14-19,22H2,1-7H3,(H,33,35)/b13-10+
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n/an/a 850n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50469013
PNG
(CHEMBL4277644)
Show SMILES Cc1ccccc1CN1CCC(CCNC(=O)\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)CC1
Show InChI InChI=1S/C32H46N2O2/c1-23-10-8-9-11-26(23)22-34-18-15-24(16-19-34)14-17-33-29(35)13-12-25-20-27(31(2,3)4)30(36)28(21-25)32(5,6)7/h8-13,20-21,24,36H,14-19,22H2,1-7H3,(H,33,35)/b13-12+
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n/an/a 870n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469018
PNG
(CHEMBL4284475)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(F)cc3)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H43FN2O2/c1-30(2,3)26-19-24(20-27(29(26)36)31(4,5)6)9-12-28(35)33-16-13-22-14-17-34(18-15-22)21-23-7-10-25(32)11-8-23/h7-12,19-20,22,36H,13-18,21H2,1-6H3,(H,33,35)/b12-9+
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n/an/a 980n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50469019
PNG
(CHEMBL4292349)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3cccc(c3)[N+]([O-])=O)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H43N3O4/c1-30(2,3)26-19-23(20-27(29(26)36)31(4,5)6)10-11-28(35)32-15-12-22-13-16-33(17-14-22)21-24-8-7-9-25(18-24)34(37)38/h7-11,18-20,22,36H,12-17,21H2,1-6H3,(H,32,35)/b11-10+
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n/an/a 1.21E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50195836
PNG
(CHEMBL3819320)
Show SMILES Oc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H28N2O2/c26-22-9-6-19(7-10-22)8-11-23(27)24-15-12-20-13-16-25(17-14-20)18-21-4-2-1-3-5-21/h1-11,20,26H,12-18H2,(H,24,27)/b11-8+
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n/an/a 1.22E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured after 180 s...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50195836
PNG
(CHEMBL3819320)
Show SMILES Oc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H28N2O2/c26-22-9-6-19(7-10-22)8-11-23(27)24-15-12-20-13-16-25(17-14-20)18-21-4-2-1-3-5-21/h1-11,20,26H,12-18H2,(H,24,27)/b11-8+
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n/an/a 1.26E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50469014
PNG
(CHEMBL4281727)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(Br)cc3)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H43BrN2O2/c1-30(2,3)26-19-24(20-27(29(26)36)31(4,5)6)9-12-28(35)33-16-13-22-14-17-34(18-15-22)21-23-7-10-25(32)11-8-23/h7-12,19-20,22,36H,13-18,21H2,1-6H3,(H,33,35)/b12-9+
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n/an/a 1.32E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469000
PNG
(CHEMBL4295126)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3cccc(F)c3)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H43FN2O2/c1-30(2,3)26-19-23(20-27(29(26)36)31(4,5)6)10-11-28(35)33-15-12-22-13-16-34(17-14-22)21-24-8-7-9-25(32)18-24/h7-11,18-20,22,36H,12-17,21H2,1-6H3,(H,33,35)/b11-10+
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n/an/a 1.33E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469007
PNG
(CHEMBL4279488)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CNCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C30H44N2O2/c1-29(2,3)25-18-24(19-26(28(25)34)30(4,5)6)27(33)20-31-15-12-22-13-16-32(17-14-22)21-23-10-8-7-9-11-23/h7-11,18-19,22,31,34H,12-17,20-21H2,1-6H3
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n/an/a 1.38E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469003
PNG
(CHEMBL4281066)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(F)c(F)c3)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H42F2N2O2/c1-30(2,3)24-17-22(18-25(29(24)37)31(4,5)6)8-10-28(36)34-14-11-21-12-15-35(16-13-21)20-23-7-9-26(32)27(33)19-23/h7-10,17-19,21,37H,11-16,20H2,1-6H3,(H,34,36)/b10-8+
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n/an/a 1.62E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50469020
PNG
(CHEMBL3819548)
Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)\C=C\c1ccccc1
Show InChI InChI=1S/C23H28N2O/c26-23(12-11-20-7-3-1-4-8-20)24-16-13-21-14-17-25(18-15-21)19-22-9-5-2-6-10-22/h1-12,21H,13-19H2,(H,24,26)/b12-11+
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n/an/a 1.67E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured after 180 s...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469001
PNG
(CHEMBL4291697)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(F)cc3F)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H42F2N2O2/c1-30(2,3)25-17-22(18-26(29(25)37)31(4,5)6)7-10-28(36)34-14-11-21-12-15-35(16-13-21)20-23-8-9-24(32)19-27(23)33/h7-10,17-19,21,37H,11-16,20H2,1-6H3,(H,34,36)/b10-7+
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n/an/a 1.78E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469017
PNG
(CHEMBL4284895)
Show SMILES Cc1ccc(CN2CCC(CCNC(=O)\C=C\c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)CC2)cc1
Show InChI InChI=1S/C32H46N2O2/c1-23-8-10-25(11-9-23)22-34-18-15-24(16-19-34)14-17-33-29(35)13-12-26-20-27(31(2,3)4)30(36)28(21-26)32(5,6)7/h8-13,20-21,24,36H,14-19,22H2,1-7H3,(H,33,35)/b13-12+
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n/an/a 2.01E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469011
PNG
(CHEMBL4288282)
Show SMILES COc1ccc(CN2CCC(CCNC(=O)\C=C\c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)CC2)cc1
Show InChI InChI=1S/C32H46N2O3/c1-31(2,3)27-20-25(21-28(30(27)36)32(4,5)6)10-13-29(35)33-17-14-23-15-18-34(19-16-23)22-24-8-11-26(37-7)12-9-24/h8-13,20-21,23,36H,14-19,22H2,1-7H3,(H,33,35)/b13-10+
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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 erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469008
PNG
(CHEMBL4283390)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H44N2O2/c1-30(2,3)26-20-25(21-27(29(26)35)31(4,5)6)12-13-28(34)32-17-14-23-15-18-33(19-16-23)22-24-10-8-7-9-11-24/h7-13,20-21,23,35H,14-19,22H2,1-6H3,(H,32,34)/b13-12+
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n/an/a 2.23E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50469006
PNG
(CHEMBL4287826)
Show SMILES CC(C)(C)c1cc(CCC(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H46N2O2/c1-30(2,3)26-20-25(21-27(29(26)35)31(4,5)6)12-13-28(34)32-17-14-23-15-18-33(19-16-23)22-24-10-8-7-9-11-24/h7-11,20-21,23,35H,12-19,22H2,1-6H3,(H,32,34)
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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 electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469012
PNG
(CHEMBL4293155)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3Cl)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H43ClN2O2/c1-30(2,3)25-19-23(20-26(29(25)36)31(4,5)6)11-12-28(35)33-16-13-22-14-17-34(18-15-22)21-24-9-7-8-10-27(24)32/h7-12,19-20,22,36H,13-18,21H2,1-6H3,(H,33,35)/b12-11+
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n/an/a 2.44E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469016
PNG
(CHEMBL4286736)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CNCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H42N2O2/c1-28(2,3)24-16-23(17-25(27(24)33)29(4,5)6)26(32)19-30-18-21-12-14-31(15-13-21)20-22-10-8-7-9-11-22/h7-11,16-17,21,30,33H,12-15,18-20H2,1-6H3
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n/an/a 2.44E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50469007
PNG
(CHEMBL4279488)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CNCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C30H44N2O2/c1-29(2,3)25-18-24(19-26(28(25)34)30(4,5)6)27(33)20-31-15-12-22-13-16-32(17-14-22)21-23-10-8-7-9-11-23/h7-11,18-19,22,31,34H,12-17,20-21H2,1-6H3
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n/an/a 2.44E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
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 butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50195836
PNG
(CHEMBL3819320)
Show SMILES Oc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H28N2O2/c26-22-9-6-19(7-10-22)8-11-23(27)24-15-12-20-13-16-25(17-14-20)18-21-4-2-1-3-5-21/h1-11,20,26H,12-18H2,(H,24,27)/b11-8+
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n/an/a 2.51E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469013
PNG
(CHEMBL4277644)
Show SMILES Cc1ccccc1CN1CCC(CCNC(=O)\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)CC1
Show InChI InChI=1S/C32H46N2O2/c1-23-10-8-9-11-26(23)22-34-18-15-24(16-19-34)14-17-33-29(35)13-12-25-20-27(31(2,3)4)30(36)28(21-25)32(5,6)7/h8-13,20-21,24,36H,14-19,22H2,1-7H3,(H,33,35)/b13-12+
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n/an/a 2.51E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469022
PNG
(CHEMBL4282558)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3cccc(Cl)c3)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H43ClN2O2/c1-30(2,3)26-19-23(20-27(29(26)36)31(4,5)6)10-11-28(35)33-15-12-22-13-16-34(17-14-22)21-24-8-7-9-25(32)18-24/h7-11,18-20,22,36H,12-17,21H2,1-6H3,(H,33,35)/b11-10+
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n/an/a 2.54E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469015
PNG
(CHEMBL4278260)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(cc3)C#N)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C32H43N3O2/c1-31(2,3)27-19-26(20-28(30(27)37)32(4,5)6)11-12-29(36)34-16-13-23-14-17-35(18-15-23)22-25-9-7-24(21-33)8-10-25/h7-12,19-20,23,37H,13-18,22H2,1-6H3,(H,34,36)/b12-11+
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n/an/a 2.78E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
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 butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured after 180 s...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469006
PNG
(CHEMBL4287826)
Show SMILES CC(C)(C)c1cc(CCC(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H46N2O2/c1-30(2,3)26-20-25(21-27(29(26)35)31(4,5)6)12-13-28(34)32-17-14-23-15-18-33(19-16-23)22-24-10-8-7-9-11-24/h7-11,20-21,23,35H,12-19,22H2,1-6H3,(H,32,34)
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n/an/a 3.42E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469019
PNG
(CHEMBL4292349)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3cccc(c3)[N+]([O-])=O)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H43N3O4/c1-30(2,3)26-19-23(20-27(29(26)36)31(4,5)6)10-11-28(35)32-15-12-22-13-16-33(17-14-22)21-24-8-7-9-25(18-24)34(37)38/h7-11,18-20,22,36H,12-17,21H2,1-6H3,(H,32,35)/b11-10+
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n/an/a 3.46E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50469014
PNG
(CHEMBL4281727)
Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(Br)cc3)CC2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C31H43BrN2O2/c1-30(2,3)26-19-24(20-27(29(26)36)31(4,5)6)9-12-28(35)33-16-13-22-14-17-34(18-15-22)21-23-7-10-25(32)11-8-23/h7-12,19-20,22,36H,13-18,21H2,1-6H3,(H,33,35)/b12-9+
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n/an/a 3.81E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50469016
PNG
(CHEMBL4286736)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CNCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H42N2O2/c1-28(2,3)24-16-23(17-25(27(24)33)29(4,5)6)26(32)19-30-18-21-12-14-31(15-13-21)20-22-10-8-7-9-11-22/h7-11,16-17,21,30,33H,12-15,18-20H2,1-6H3
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n/an/a 5.38E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50469016
PNG
(CHEMBL4286736)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CNCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H42N2O2/c1-28(2,3)24-16-23(17-25(27(24)33)29(4,5)6)26(32)19-30-18-21-12-14-31(15-13-21)20-22-10-8-7-9-11-22/h7-11,16-17,21,30,33H,12-15,18-20H2,1-6H3
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n/an/a 6.43E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...

Eur J Med Chem 157: 161-176 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.005
BindingDB Entry DOI: 10.7270/Q29P34C1
More data for this
Ligand-Target Pair
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