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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50002305   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		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 10n/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 180...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM10949
PNG
(3-(4-{[Benzyl(methyl)amino]methyl}-phenyl)-6,7-dim...)
Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C26H25NO4/c1-27(16-18-7-5-4-6-8-18)17-19-9-11-20(12-10-19)22-13-21-14-24(29-2)25(30-3)15-23(21)31-26(22)28/h4-15H,16-17H2,1-3H3
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n/an/a 40n/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 180...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
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 160n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cholinesterase


(Homo sapiens (Human))		BDBM50456918
PNG
(CHEMBL4214951)
Show SMILES CN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C23H24N2O3/c1-25(15-17-5-3-2-4-6-17)16-18-7-10-20(11-8-18)24-23(28)14-19-9-12-21(26)22(27)13-19/h2-13,26-27H,14-16H2,1H3,(H,24,28)
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n/an/a 950n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 1...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456911
PNG
(CHEMBL4217212)
Show SMILES COc1ccc(CC(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1O
Show InChI InChI=1S/C24H26N2O3/c1-26(16-18-6-4-3-5-7-18)17-19-8-11-21(12-9-19)25-24(28)15-20-10-13-23(29-2)22(27)14-20/h3-14,27H,15-17H2,1-2H3,(H,25,28)
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n/an/a 1.05E+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 180...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50456908
PNG
(CHEMBL4203538)
Show SMILES COc1ccc(CC(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1OC
Show InChI InChI=1S/C25H28N2O3/c1-27(17-19-7-5-4-6-8-19)18-20-9-12-22(13-10-20)26-25(28)16-21-11-14-23(29-2)24(15-21)30-3/h4-15H,16-18H2,1-3H3,(H,26,28)
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n/an/a 1.05E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 1...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456908
PNG
(CHEMBL4203538)
Show SMILES COc1ccc(CC(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1OC
Show InChI InChI=1S/C25H28N2O3/c1-27(17-19-7-5-4-6-8-19)18-20-9-12-22(13-10-20)26-25(28)16-21-11-14-23(29-2)24(15-21)30-3/h4-15H,16-18H2,1-3H3,(H,26,28)
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n/an/a 1.06E+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 180...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50456906
PNG
(CHEMBL4203653)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1
Show InChI InChI=1S/C26H30N2O3/c1-4-28(18-20-8-6-5-7-9-20)19-21-10-13-23(14-11-21)27-26(29)17-22-12-15-24(30-2)25(16-22)31-3/h5-16H,4,17-19H2,1-3H3,(H,27,29)
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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 human serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 1...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50456911
PNG
(CHEMBL4217212)
Show SMILES COc1ccc(CC(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1O
Show InChI InChI=1S/C24H26N2O3/c1-26(16-18-6-4-3-5-7-18)17-19-8-11-21(12-9-19)25-24(28)15-20-10-13-23(29-2)22(27)14-20/h3-14,27H,15-17H2,1-2H3,(H,25,28)
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n/an/a 1.29E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 1...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50456912
PNG
(CHEMBL4214755)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(OC)c(O)c2)cc1
Show InChI InChI=1S/C25H28N2O3/c1-3-27(17-19-7-5-4-6-8-19)18-20-9-12-22(13-10-20)26-25(29)16-21-11-14-24(30-2)23(28)15-21/h4-15,28H,3,16-18H2,1-2H3,(H,26,29)
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n/an/a 1.46E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 1...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50456908
PNG
(CHEMBL4203538)
Show SMILES COc1ccc(CC(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1OC
Show InChI InChI=1S/C25H28N2O3/c1-27(17-19-7-5-4-6-8-19)18-20-9-12-22(13-10-20)26-25(28)16-21-11-14-23(29-2)24(15-21)30-3/h4-15H,16-18H2,1-3H3,(H,26,28)
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n/an/a 1.48E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456906
PNG
(CHEMBL4203653)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1
Show InChI InChI=1S/C26H30N2O3/c1-4-28(18-20-8-6-5-7-9-20)19-21-10-13-23(14-11-21)27-26(29)17-22-12-15-24(30-2)25(16-22)31-3/h5-16H,4,17-19H2,1-3H3,(H,27,29)
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n/an/a 1.55E+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 180...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50195815
PNG
(CHEMBL3917990)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1OC
Show InChI InChI=1S/C26H28N2O3/c1-28(18-21-7-5-4-6-8-21)19-22-9-13-23(14-10-22)27-26(29)16-12-20-11-15-24(30-2)25(17-20)31-3/h4-17H,18-19H2,1-3H3,(H,27,29)/b16-12+
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n/an/a 1.56E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 1...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456918
PNG
(CHEMBL4214951)
Show SMILES CN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C23H24N2O3/c1-25(15-17-5-3-2-4-6-17)16-18-7-10-20(11-8-18)24-23(28)14-19-9-12-21(26)22(27)13-19/h2-13,26-27H,14-16H2,1H3,(H,24,28)
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n/an/a 1.68E+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 180...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50456908
PNG
(CHEMBL4203538)
Show SMILES COc1ccc(CC(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1OC
Show InChI InChI=1S/C25H28N2O3/c1-27(17-19-7-5-4-6-8-19)18-20-9-12-22(13-10-20)26-25(28)16-21-11-14-23(29-2)24(15-21)30-3/h4-15H,16-18H2,1-3H3,(H,26,28)
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n/an/a 1.85E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456912
PNG
(CHEMBL4214755)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(OC)c(O)c2)cc1
Show InChI InChI=1S/C25H28N2O3/c1-3-27(17-19-7-5-4-6-8-19)18-20-9-12-22(13-10-20)26-25(29)16-21-11-14-24(30-2)23(28)15-21/h4-15,28H,3,16-18H2,1-2H3,(H,26,29)
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n/an/a 1.89E+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 180...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50195815
PNG
(CHEMBL3917990)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1OC
Show InChI InChI=1S/C26H28N2O3/c1-28(18-21-7-5-4-6-8-21)19-22-9-13-23(14-10-22)27-26(29)16-12-20-11-15-24(30-2)25(17-20)31-3/h4-17H,18-19H2,1-3H3,(H,27,29)/b16-12+
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n/an/a 1.94E+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 180...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50456920
PNG
(CHEMBL4207876)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C24H26N2O2/c1-2-26(17-20-6-4-3-5-7-20)18-21-8-12-22(13-9-21)25-24(28)16-19-10-14-23(27)15-11-19/h3-15,27H,2,16-18H2,1H3,(H,25,28)
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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 human serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 1...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456917
PNG
(CHEMBL4208392)
Show SMILES CN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C23H24N2O2/c1-25(16-19-5-3-2-4-6-19)17-20-7-11-21(12-8-20)24-23(27)15-18-9-13-22(26)14-10-18/h2-14,26H,15-17H2,1H3,(H,24,27)
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n/an/a 2.26E+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 180...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50456918
PNG
(CHEMBL4214951)
Show SMILES CN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C23H24N2O3/c1-25(15-17-5-3-2-4-6-17)16-18-7-10-20(11-8-18)24-23(28)14-19-9-12-21(26)22(27)13-19/h2-13,26-27H,14-16H2,1H3,(H,24,28)
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n/an/a 2.28E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50456911
PNG
(CHEMBL4217212)
Show SMILES COc1ccc(CC(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1O
Show InChI InChI=1S/C24H26N2O3/c1-26(16-18-6-4-3-5-7-18)17-19-8-11-21(12-9-19)25-24(28)15-20-10-13-23(29-2)22(27)14-20/h3-14,27H,15-17H2,1-2H3,(H,25,28)
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n/an/a 2.40E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50456910
PNG
(CHEMBL4212229)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C24H26N2O3/c1-2-26(16-18-6-4-3-5-7-18)17-19-8-11-21(12-9-19)25-24(29)15-20-10-13-22(27)23(28)14-20/h3-14,27-28H,2,15-17H2,1H3,(H,25,29)
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n/an/a 2.40E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 1...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50456912
PNG
(CHEMBL4214755)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(OC)c(O)c2)cc1
Show InChI InChI=1S/C25H28N2O3/c1-3-27(17-19-7-5-4-6-8-19)18-20-9-12-22(13-10-20)26-25(29)16-21-11-14-24(30-2)23(28)15-21/h4-15,28H,3,16-18H2,1-2H3,(H,26,29)
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n/an/a 2.76E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
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 2.89E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50195815
PNG
(CHEMBL3917990)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1OC
Show InChI InChI=1S/C26H28N2O3/c1-28(18-21-7-5-4-6-8-21)19-22-9-13-23(14-10-22)27-26(29)16-12-20-11-15-24(30-2)25(17-20)31-3/h4-17H,18-19H2,1-3H3,(H,27,29)/b16-12+
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n/an/a 2.96E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50456911
PNG
(CHEMBL4217212)
Show SMILES COc1ccc(CC(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1O
Show InChI InChI=1S/C24H26N2O3/c1-26(16-18-6-4-3-5-7-18)17-19-8-11-21(12-9-19)25-24(28)15-20-10-13-23(29-2)22(27)14-20/h3-14,27H,15-17H2,1-2H3,(H,25,28)
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n/an/a 3.04E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50456906
PNG
(CHEMBL4203653)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1
Show InChI InChI=1S/C26H30N2O3/c1-4-28(18-20-8-6-5-7-9-20)19-21-10-13-23(14-11-21)27-26(29)17-22-12-15-24(30-2)25(16-22)31-3/h5-16H,4,17-19H2,1-3H3,(H,27,29)
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n/an/a 3.22E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456907
PNG
(CHEMBL4218997)
Show SMILES CN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C23H24N2O/c1-25(17-20-10-6-3-7-11-20)18-21-12-14-22(15-13-21)24-23(26)16-19-8-4-2-5-9-19/h2-15H,16-18H2,1H3,(H,24,26)
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n/an/a 3.24E+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 180...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50456917
PNG
(CHEMBL4208392)
Show SMILES CN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C23H24N2O2/c1-25(16-19-5-3-2-4-6-19)17-20-7-11-21(12-8-20)24-23(27)15-18-9-13-22(26)14-10-18/h2-14,26H,15-17H2,1H3,(H,24,27)
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n/an/a 3.24E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50456912
PNG
(CHEMBL4214755)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(OC)c(O)c2)cc1
Show InChI InChI=1S/C25H28N2O3/c1-3-27(17-19-7-5-4-6-8-19)18-20-9-12-22(13-10-20)26-25(29)16-21-11-14-24(30-2)23(28)15-21/h4-15,28H,3,16-18H2,1-2H3,(H,26,29)
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n/an/a 3.29E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50456906
PNG
(CHEMBL4203653)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1
Show InChI InChI=1S/C26H30N2O3/c1-4-28(18-20-8-6-5-7-9-20)19-21-10-13-23(14-11-21)27-26(29)17-22-12-15-24(30-2)25(16-22)31-3/h5-16H,4,17-19H2,1-3H3,(H,27,29)
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n/an/a 3.30E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50456917
PNG
(CHEMBL4208392)
Show SMILES CN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C23H24N2O2/c1-25(16-19-5-3-2-4-6-19)17-20-7-11-21(12-8-20)24-23(27)15-18-9-13-22(26)14-10-18/h2-14,26H,15-17H2,1H3,(H,24,27)
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n/an/a 3.48E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456910
PNG
(CHEMBL4212229)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C24H26N2O3/c1-2-26(16-18-6-4-3-5-7-18)17-19-8-11-21(12-9-19)25-24(29)15-20-10-13-22(27)23(28)14-20/h3-14,27-28H,2,15-17H2,1H3,(H,25,29)
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n/an/a 3.63E+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 180...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50195870
PNG
(CHEMBL3978533)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1
Show InChI InChI=1S/C25H26N2O2/c1-27(18-21-6-4-3-5-7-21)19-22-8-13-23(14-9-22)26-25(28)17-12-20-10-15-24(29-2)16-11-20/h3-17H,18-19H2,1-2H3,(H,26,28)/b17-12+
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n/an/a 3.72E+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 180...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50195815
PNG
(CHEMBL3917990)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1OC
Show InChI InChI=1S/C26H28N2O3/c1-28(18-21-7-5-4-6-8-21)19-22-9-13-23(14-10-22)27-26(29)16-12-20-11-15-24(30-2)25(17-20)31-3/h4-17H,18-19H2,1-3H3,(H,27,29)/b16-12+
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n/an/a 3.72E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456920
PNG
(CHEMBL4207876)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C24H26N2O2/c1-2-26(17-20-6-4-3-5-7-20)18-21-8-12-22(13-9-21)25-24(28)16-19-10-14-23(27)15-11-19/h3-15,27H,2,16-18H2,1H3,(H,25,28)
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n/an/a 3.82E+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 180...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456913
PNG
(CHEMBL3891025)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)ccc1O
Show InChI InChI=1S/C25H26N2O3/c1-27(17-20-6-4-3-5-7-20)18-21-8-12-22(13-9-21)26-25(29)15-11-19-10-14-23(28)24(16-19)30-2/h3-16,28H,17-18H2,1-2H3,(H,26,29)/b15-11+
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n/an/a 3.99E+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 180...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50456917
PNG
(CHEMBL4208392)
Show SMILES CN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C23H24N2O2/c1-25(16-19-5-3-2-4-6-19)17-20-7-11-21(12-8-20)24-23(27)15-18-9-13-22(26)14-10-18/h2-14,26H,15-17H2,1H3,(H,24,27)
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n/an/a 4.32E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 1...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
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 4.38E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 1...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50456920
PNG
(CHEMBL4207876)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C24H26N2O2/c1-2-26(17-20-6-4-3-5-7-20)18-21-8-12-22(13-9-21)25-24(28)16-19-10-14-23(27)15-11-19/h3-15,27H,2,16-18H2,1H3,(H,25,28)
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n/an/a 4.45E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50195870
PNG
(CHEMBL3978533)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1
Show InChI InChI=1S/C25H26N2O2/c1-27(18-21-6-4-3-5-7-21)19-22-8-13-23(14-9-22)26-25(28)17-12-20-10-15-24(29-2)16-11-20/h3-17H,18-19H2,1-2H3,(H,26,28)/b17-12+
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n/an/a 4.56E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50456918
PNG
(CHEMBL4214951)
Show SMILES CN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C23H24N2O3/c1-25(15-17-5-3-2-4-6-17)16-18-7-10-20(11-8-18)24-23(28)14-19-9-12-21(26)22(27)13-19/h2-13,26-27H,14-16H2,1H3,(H,24,28)
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n/an/a 4.63E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456919
PNG
(CHEMBL4216806)
Show SMILES CN(Cc1ccccc1)Cc1ccc(NC(=O)\C=C\c2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C24H24N2O3/c1-26(16-19-5-3-2-4-6-19)17-20-7-11-21(12-8-20)25-24(29)14-10-18-9-13-22(27)23(28)15-18/h2-15,27-28H,16-17H2,1H3,(H,25,29)/b14-10+
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n/an/a 4.64E+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 180...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50195816
PNG
(CHEMBL3970226)
Show SMILES CN(Cc1ccccc1)Cc1ccc(NC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C24H24N2O2/c1-26(17-20-5-3-2-4-6-20)18-21-7-12-22(13-8-21)25-24(28)16-11-19-9-14-23(27)15-10-19/h2-16,27H,17-18H2,1H3,(H,25,28)/b16-11+
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n/an/a 4.85E+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 180...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50456907
PNG
(CHEMBL4218997)
Show SMILES CN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C23H24N2O/c1-25(17-20-10-6-3-7-11-20)18-21-12-14-22(15-13-21)24-23(26)16-19-8-4-2-5-9-19/h2-15H,16-18H2,1H3,(H,24,26)
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n/an/a 4.95E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 1...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50456913
PNG
(CHEMBL3891025)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)ccc1O
Show InChI InChI=1S/C25H26N2O3/c1-27(17-20-6-4-3-5-7-20)18-21-8-12-22(13-9-21)26-25(29)15-11-19-10-14-23(28)24(16-19)30-2/h3-16,28H,17-18H2,1-2H3,(H,26,29)/b15-11+
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n/an/a 5.12E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 1...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456921
PNG
(CHEMBL4215324)
Show SMILES CN(Cc1ccccc1)Cc1ccc(NC(=O)\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C24H24N2O/c1-26(18-21-10-6-3-7-11-21)19-22-12-15-23(16-13-22)25-24(27)17-14-20-8-4-2-5-9-20/h2-17H,18-19H2,1H3,(H,25,27)/b17-14+
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n/an/a 5.27E+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 180...

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50456907
PNG
(CHEMBL4218997)
Show SMILES CN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C23H24N2O/c1-25(17-20-10-6-3-7-11-20)18-21-12-14-22(15-13-21)24-23(26)16-19-8-4-2-5-9-19/h2-15H,16-18H2,1H3,(H,24,26)
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n/an/a 5.28E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50456915
PNG
(CHEMBL4204053)
Show SMILES CN(Cc1ccccc1)Cc1ccc(NC(=O)CCc2ccccc2)cc1
Show InChI InChI=1S/C24H26N2O/c1-26(18-21-10-6-3-7-11-21)19-22-12-15-23(16-13-22)25-24(27)17-14-20-8-4-2-5-9-20/h2-13,15-16H,14,17-19H2,1H3,(H,25,27)
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n/an/a 5.29E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50456914
PNG
(CHEMBL4204899)
Show SMILES CN(Cc1ccccc1)Cc1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H22N2O/c1-24(16-18-8-4-2-5-9-18)17-19-12-14-21(15-13-19)23-22(25)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,23,25)
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n/an/a 5.30E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
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