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PubMed code 27951485

Compile data set for download or QSAR
Found 59 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234829
PNG
(CHEMBL4100760)
Show SMILES COc1cc2O\C(=C/c3ccc(CN4CCCCC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H25NO5/c1-27-20-12-17-19(13-21(20)28-2)29-22(23(17)26)11-15-6-7-16(18(25)10-15)14-24-8-4-3-5-9-24/h6-7,10-13,25H,3-5,8-9,14H2,1-2H3/b22-11-
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 12n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Electrophorus electricus AChE pretreated for 15 mins followed by varying levels of acetylthiocholine iodide substrate additi...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 2.70n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate incubated for 30 mins by fluor...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50234829
PNG
(CHEMBL4100760)
Show SMILES COc1cc2O\C(=C/c3ccc(CN4CCCCC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H25NO5/c1-27-20-12-17-19(13-21(20)28-2)29-22(23(17)26)11-15-6-7-16(18(25)10-15)14-24-8-4-3-5-9-24/h6-7,10-13,25H,3-5,8-9,14H2,1-2H3/b22-11-
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n/an/a 8.80n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		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 19n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234829
PNG
(CHEMBL4100760)
Show SMILES COc1cc2O\C(=C/c3ccc(CN4CCCCC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H25NO5/c1-27-20-12-17-19(13-21(20)28-2)29-22(23(17)26)11-15-6-7-16(18(25)10-15)14-24-8-4-3-5-9-24/h6-7,10-13,25H,3-5,8-9,14H2,1-2H3/b22-11-
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n/an/a 21n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
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 27n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
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 36n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50234829
PNG
(CHEMBL4100760)
Show SMILES COc1cc2O\C(=C/c3ccc(CN4CCCCC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H25NO5/c1-27-20-12-17-19(13-21(20)28-2)29-22(23(17)26)11-15-6-7-16(18(25)10-15)14-24-8-4-3-5-9-24/h6-7,10-13,25H,3-5,8-9,14H2,1-2H3/b22-11-
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n/an/a 37n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
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n/an/a 83n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate incubated for 30 mins by fluor...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50234814
PNG
(CHEMBL4075571)
Show SMILES CCN(CC)Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1O
Show InChI InChI=1S/C22H25NO5/c1-5-23(6-2)13-15-8-7-14(9-17(15)24)10-21-22(25)16-11-19(26-3)20(27-4)12-18(16)28-21/h7-12,24H,5-6,13H2,1-4H3/b21-10-
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n/an/a 108n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50234823
PNG
(CHEMBL4069184)
Show SMILES COc1cc2O\C(=C/c3ccc(O)c(CN(C)C)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C20H21NO5/c1-21(2)11-13-7-12(5-6-15(13)22)8-19-20(23)14-9-17(24-3)18(25-4)10-16(14)26-19/h5-10,22H,11H2,1-4H3/b19-8-
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n/an/a 127n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50234815
PNG
(CHEMBL4094805)
Show SMILES COc1cc2O\C(=C/c3ccc(CN4CCCC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C22H23NO5/c1-26-19-11-16-18(12-20(19)27-2)28-21(22(16)25)10-14-5-6-15(17(24)9-14)13-23-7-3-4-8-23/h5-6,9-12,24H,3-4,7-8,13H2,1-2H3/b21-10-
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n/an/a 246n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234823
PNG
(CHEMBL4069184)
Show SMILES COc1cc2O\C(=C/c3ccc(O)c(CN(C)C)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C20H21NO5/c1-21(2)11-13-7-12(5-6-15(13)22)8-19-20(23)14-9-17(24-3)18(25-4)10-16(14)26-19/h5-10,22H,11H2,1-4H3/b19-8-
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n/an/a 411n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234814
PNG
(CHEMBL4075571)
Show SMILES CCN(CC)Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1O
Show InChI InChI=1S/C22H25NO5/c1-5-23(6-2)13-15-8-7-14(9-17(15)24)10-21-22(25)16-11-19(26-3)20(27-4)12-18(16)28-21/h7-12,24H,5-6,13H2,1-4H3/b21-10-
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n/an/a 486n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50234823
PNG
(CHEMBL4069184)
Show SMILES COc1cc2O\C(=C/c3ccc(O)c(CN(C)C)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C20H21NO5/c1-21(2)11-13-7-12(5-6-15(13)22)8-19-20(23)14-9-17(24-3)18(25-4)10-16(14)26-19/h5-10,22H,11H2,1-4H3/b19-8-
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n/an/a 510n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50234814
PNG
(CHEMBL4075571)
Show SMILES CCN(CC)Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1O
Show InChI InChI=1S/C22H25NO5/c1-5-23(6-2)13-15-8-7-14(9-17(15)24)10-21-22(25)16-11-19(26-3)20(27-4)12-18(16)28-21/h7-12,24H,5-6,13H2,1-4H3/b21-10-
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n/an/a 700n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50234815
PNG
(CHEMBL4094805)
Show SMILES COc1cc2O\C(=C/c3ccc(CN4CCCC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C22H23NO5/c1-26-19-11-16-18(12-20(19)27-2)28-21(22(16)25)10-14-5-6-15(17(24)9-14)13-23-7-3-4-8-23/h5-6,9-12,24H,3-4,7-8,13H2,1-2H3/b21-10-
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n/an/a 1.32E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
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n/an/a 1.42E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate incubated for 30 mins by fluor...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM29136
PNG
(CHEMBL92401 | Euphozid | Iprazid | Iproniazid)
Show SMILES CC(C)NNC(=O)c1ccncc1
Show InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
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n/an/a 1.95E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate incubated for 30 mins by fluor...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM29136
PNG
(CHEMBL92401 | Euphozid | Iprazid | Iproniazid)
Show SMILES CC(C)NNC(=O)c1ccncc1
Show InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
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n/an/a 2.56E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate incubated for 30 mins by fluor...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234815
PNG
(CHEMBL4094805)
Show SMILES COc1cc2O\C(=C/c3ccc(CN4CCCC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C22H23NO5/c1-26-19-11-16-18(12-20(19)27-2)28-21(22(16)25)10-14-5-6-15(17(24)9-14)13-23-7-3-4-8-23/h5-6,9-12,24H,3-4,7-8,13H2,1-2H3/b21-10-
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n/an/a 2.70E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 4.19E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate incubated for 30 mins by fluor...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50234816
PNG
(CHEMBL4059887)
Show SMILES COc1cc2O\C(=C/c3ccc(CN4CCOCC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C22H23NO6/c1-26-19-11-16-18(12-20(19)27-2)29-21(22(16)25)10-14-3-4-15(17(24)9-14)13-23-5-7-28-8-6-23/h3-4,9-12,24H,5-8,13H2,1-2H3/b21-10-
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n/an/a 6.00E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234821
PNG
(CHEMBL4072914)
Show SMILES CCN(Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1N(C)C
Show InChI InChI=1S/C29H32N2O5/c1-6-31(17-20-9-7-8-10-23(20)30(2)3)18-21-12-11-19(13-24(21)32)14-28-29(33)22-15-26(34-4)27(35-5)16-25(22)36-28/h7-16,32H,6,17-18H2,1-5H3/b28-14-
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n/an/a 6.40E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50234821
PNG
(CHEMBL4072914)
Show SMILES CCN(Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1N(C)C
Show InChI InChI=1S/C29H32N2O5/c1-6-31(17-20-9-7-8-10-23(20)30(2)3)18-21-12-11-19(13-24(21)32)14-28-29(33)22-15-26(34-4)27(35-5)16-25(22)36-28/h7-16,32H,6,17-18H2,1-5H3/b28-14-
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n/an/a 6.69E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50234821
PNG
(CHEMBL4072914)
Show SMILES CCN(Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1N(C)C
Show InChI InChI=1S/C29H32N2O5/c1-6-31(17-20-9-7-8-10-23(20)30(2)3)18-21-12-11-19(13-24(21)32)14-28-29(33)22-15-26(34-4)27(35-5)16-25(22)36-28/h7-16,32H,6,17-18H2,1-5H3/b28-14-
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n/an/a 7.32E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50234816
PNG
(CHEMBL4059887)
Show SMILES COc1cc2O\C(=C/c3ccc(CN4CCOCC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C22H23NO6/c1-26-19-11-16-18(12-20(19)27-2)29-21(22(16)25)10-14-3-4-15(17(24)9-14)13-23-5-7-28-8-6-23/h3-4,9-12,24H,5-8,13H2,1-2H3/b21-10-
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n/an/a 8.66E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234813
PNG
(CHEMBL4090583)
Show SMILES COc1cc2O\C(=C/c3ccc(CN(C)C)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C20H21NO5/c1-21(2)11-13-6-5-12(7-15(13)22)8-19-20(23)14-9-17(24-3)18(25-4)10-16(14)26-19/h5-10,22H,11H2,1-4H3/b19-8-
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n/an/a 8.93E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234828
PNG
(CHEMBL4102562)
Show SMILES COc1cc2O\C(=C/c3ccc(CN(C)Cc4ccccc4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C26H25NO5/c1-27(15-17-7-5-4-6-8-17)16-19-10-9-18(11-21(19)28)12-25-26(29)20-13-23(30-2)24(31-3)14-22(20)32-25/h4-14,28H,15-16H2,1-3H3/b25-12-
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n/an/a 9.10E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234818
PNG
(CHEMBL4098196)
Show SMILES CCN1CCN(Cc2ccc(\C=C3/Oc4cc(OC)c(OC)cc4C3=O)cc2O)CC1
Show InChI InChI=1S/C24H28N2O5/c1-4-25-7-9-26(10-8-25)15-17-6-5-16(11-19(17)27)12-23-24(28)18-13-21(29-2)22(30-3)14-20(18)31-23/h5-6,11-14,27H,4,7-10,15H2,1-3H3/b23-12-
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n/an/a 1.17E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234817
PNG
(CHEMBL4081805)
Show SMILES COc1cc2O\C(=C/c3ccc(CN4CCN(C)CC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H26N2O5/c1-24-6-8-25(9-7-24)14-16-5-4-15(10-18(16)26)11-22-23(27)17-12-20(28-2)21(29-3)13-19(17)30-22/h4-5,10-13,26H,6-9,14H2,1-3H3/b22-11-
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n/an/a 1.19E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50234817
PNG
(CHEMBL4081805)
Show SMILES COc1cc2O\C(=C/c3ccc(CN4CCN(C)CC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H26N2O5/c1-24-6-8-25(9-7-24)14-16-5-4-15(10-18(16)26)11-22-23(27)17-12-20(28-2)21(29-3)13-19(17)30-22/h4-5,10-13,26H,6-9,14H2,1-3H3/b22-11-
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n/an/a 1.40E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50234817
PNG
(CHEMBL4081805)
Show SMILES COc1cc2O\C(=C/c3ccc(CN4CCN(C)CC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H26N2O5/c1-24-6-8-25(9-7-24)14-16-5-4-15(10-18(16)26)11-22-23(27)17-12-20(28-2)21(29-3)13-19(17)30-22/h4-5,10-13,26H,6-9,14H2,1-3H3/b22-11-
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n/an/a 1.63E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234831
PNG
(CHEMBL4096430)
Show SMILES CCN(CC)Cc1cc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)ccc1O
Show InChI InChI=1S/C22H25NO5/c1-5-23(6-2)13-15-9-14(7-8-17(15)24)10-21-22(25)16-11-19(26-3)20(27-4)12-18(16)28-21/h7-12,24H,5-6,13H2,1-4H3/b21-10-
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n/an/a 1.71E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50234828
PNG
(CHEMBL4102562)
Show SMILES COc1cc2O\C(=C/c3ccc(CN(C)Cc4ccccc4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C26H25NO5/c1-27(15-17-7-5-4-6-8-17)16-19-10-9-18(11-21(19)28)12-25-26(29)20-13-23(30-2)24(31-3)14-22(20)32-25/h4-14,28H,15-16H2,1-3H3/b25-12-
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n/an/a 2.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234816
PNG
(CHEMBL4059887)
Show SMILES COc1cc2O\C(=C/c3ccc(CN4CCOCC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C22H23NO6/c1-26-19-11-16-18(12-20(19)27-2)29-21(22(16)25)10-14-3-4-15(17(24)9-14)13-23-5-7-28-8-6-23/h3-4,9-12,24H,5-8,13H2,1-2H3/b21-10-
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n/an/a 2.02E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50234824
PNG
(CHEMBL4095726)
Show SMILES COc1cc2O\C(=C/c3cc(CN(C)C)c(O)c(CN(C)C)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H28N2O5/c1-24(2)12-15-7-14(8-16(22(15)26)13-25(3)4)9-21-23(27)17-10-19(28-5)20(29-6)11-18(17)30-21/h7-11,26H,12-13H2,1-6H3/b21-9-
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n/an/a 2.33E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50234818
PNG
(CHEMBL4098196)
Show SMILES CCN1CCN(Cc2ccc(\C=C3/Oc4cc(OC)c(OC)cc4C3=O)cc2O)CC1
Show InChI InChI=1S/C24H28N2O5/c1-4-25-7-9-26(10-8-25)15-17-6-5-16(11-19(17)27)12-23-24(28)18-13-21(29-2)22(30-3)14-20(18)31-23/h5-6,11-14,27H,4,7-10,15H2,1-3H3/b23-12-
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n/an/a 2.40E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50234813
PNG
(CHEMBL4090583)
Show SMILES COc1cc2O\C(=C/c3ccc(CN(C)C)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C20H21NO5/c1-21(2)11-13-6-5-12(7-15(13)22)8-19-20(23)14-9-17(24-3)18(25-4)10-16(14)26-19/h5-10,22H,11H2,1-4H3/b19-8-
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n/an/a 2.43E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50234813
PNG
(CHEMBL4090583)
Show SMILES COc1cc2O\C(=C/c3ccc(CN(C)C)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C20H21NO5/c1-21(2)11-13-6-5-12(7-15(13)22)8-19-20(23)14-9-17(24-3)18(25-4)10-16(14)26-19/h5-10,22H,11H2,1-4H3/b19-8-
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n/an/a 2.58E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50234828
PNG
(CHEMBL4102562)
Show SMILES COc1cc2O\C(=C/c3ccc(CN(C)Cc4ccccc4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C26H25NO5/c1-27(15-17-7-5-4-6-8-17)16-19-10-9-18(11-21(19)28)12-25-26(29)20-13-23(30-2)24(31-3)14-22(20)32-25/h4-14,28H,15-16H2,1-3H3/b25-12-
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n/an/a 2.63E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50234831
PNG
(CHEMBL4096430)
Show SMILES CCN(CC)Cc1cc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)ccc1O
Show InChI InChI=1S/C22H25NO5/c1-5-23(6-2)13-15-9-14(7-8-17(15)24)10-21-22(25)16-11-19(26-3)20(27-4)12-18(16)28-21/h7-12,24H,5-6,13H2,1-4H3/b21-10-
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n/an/a 2.89E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234819
PNG
(CHEMBL4076740)
Show SMILES COc1ccccc1CN(C)Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1O
Show InChI InChI=1S/C27H27NO6/c1-28(16-19-7-5-6-8-22(19)31-2)15-18-10-9-17(11-21(18)29)12-26-27(30)20-13-24(32-3)25(33-4)14-23(20)34-26/h5-14,29H,15-16H2,1-4H3/b26-12-
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n/an/a 2.89E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50234818
PNG
(CHEMBL4098196)
Show SMILES CCN1CCN(Cc2ccc(\C=C3/Oc4cc(OC)c(OC)cc4C3=O)cc2O)CC1
Show InChI InChI=1S/C24H28N2O5/c1-4-25-7-9-26(10-8-25)15-17-6-5-16(11-19(17)27)12-23-24(28)18-13-21(29-2)22(30-3)14-20(18)31-23/h5-6,11-14,27H,4,7-10,15H2,1-3H3/b23-12-
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n/an/a 3.21E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234825
PNG
(CHEMBL4068377)
Show SMILES CCN(CC)Cc1cc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc(CN(CC)CC)c1O
Show InChI InChI=1S/C27H36N2O5/c1-7-28(8-2)16-19-11-18(12-20(26(19)30)17-29(9-3)10-4)13-25-27(31)21-14-23(32-5)24(33-6)15-22(21)34-25/h11-15,30H,7-10,16-17H2,1-6H3/b25-13-
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n/an/a 3.46E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234820
PNG
(CHEMBL4064330)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1O
Show InChI InChI=1S/C27H27NO5/c1-4-28(16-18-8-6-5-7-9-18)17-20-11-10-19(12-22(20)29)13-26-27(30)21-14-24(31-2)25(32-3)15-23(21)33-26/h5-15,29H,4,16-17H2,1-3H3/b26-13-
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n/an/a 3.58E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234827
PNG
(CHEMBL4075780)
Show SMILES COc1cc2O\C(=C/c3cccc(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C17H14O5/c1-20-14-8-12-13(9-15(14)21-2)22-16(17(12)19)7-10-4-3-5-11(18)6-10/h3-9,18H,1-2H3/b16-7-
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n/an/a 3.63E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234830
PNG
(CHEMBL4092053)
Show SMILES CCN(Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1OC
Show InChI InChI=1S/C28H29NO6/c1-5-29(17-20-8-6-7-9-23(20)32-2)16-19-11-10-18(12-22(19)30)13-27-28(31)21-14-25(33-3)26(34-4)15-24(21)35-27/h6-15,30H,5,16-17H2,1-4H3/b27-13-
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n/an/a 3.70E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))		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 3.73E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in rat serum using butyrylthiocholine as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50234825
PNG
(CHEMBL4068377)
Show SMILES CCN(CC)Cc1cc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc(CN(CC)CC)c1O
Show InChI InChI=1S/C27H36N2O5/c1-7-28(8-2)16-19-11-18(12-20(26(19)30)17-29(9-3)10-4)13-25-27(31)21-14-23(32-5)24(33-6)15-22(21)34-25/h11-15,30H,7-10,16-17H2,1-6H3/b25-13-
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n/an/a 4.21E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50234830
PNG
(CHEMBL4092053)
Show SMILES CCN(Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1OC
Show InChI InChI=1S/C28H29NO6/c1-5-29(17-20-8-6-7-9-23(20)32-2)16-19-11-10-18(12-22(19)30)13-27-28(31)21-14-25(33-3)26(34-4)15-24(21)35-27/h6-15,30H,5,16-17H2,1-4H3/b27-13-
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n/an/a 4.49E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234824
PNG
(CHEMBL4095726)
Show SMILES COc1cc2O\C(=C/c3cc(CN(C)C)c(O)c(CN(C)C)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H28N2O5/c1-24(2)12-15-7-14(8-16(22(15)26)13-25(3)4)9-21-23(27)17-10-19(28-5)20(29-6)11-18(17)30-21/h7-11,26H,12-13H2,1-6H3/b21-9-
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n/an/a 5.72E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234826
PNG
(CHEMBL4063760)
Show SMILES COc1cc2O\C(=C/c3ccc(O)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C17H14O5/c1-20-14-8-12-13(9-15(14)21-2)22-16(17(12)19)7-10-3-5-11(18)6-4-10/h3-9,18H,1-2H3/b16-7-
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n/an/a 6.44E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50234819
PNG
(CHEMBL4076740)
Show SMILES COc1ccccc1CN(C)Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1O
Show InChI InChI=1S/C27H27NO6/c1-28(16-19-7-5-6-8-22(19)31-2)15-18-10-9-17(11-21(18)29)12-26-27(30)20-13-24(32-3)25(33-4)14-23(20)34-26/h5-14,29H,15-16H2,1-4H3/b26-12-
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n/an/a 7.44E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50234820
PNG
(CHEMBL4064330)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1O
Show InChI InChI=1S/C27H27NO5/c1-4-28(16-18-8-6-5-7-9-18)17-20-11-10-19(12-22(20)29)13-26-27(30)21-14-24(31-2)25(32-3)15-23(21)33-26/h5-15,29H,4,16-17H2,1-3H3/b26-13-
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n/an/a 9.41E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50234827
PNG
(CHEMBL4075780)
Show SMILES COc1cc2O\C(=C/c3cccc(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C17H14O5/c1-20-14-8-12-13(9-15(14)21-2)22-16(17(12)19)7-10-4-3-5-11(18)6-10/h3-9,18H,1-2H3/b16-7-
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n/an/a 1.31E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50234822
PNG
(CHEMBL4099799)
Show SMILES CCN(Cc1ccc(cc1)N(C)C)Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1O
Show InChI InChI=1S/C29H32N2O5/c1-6-31(17-19-8-11-22(12-9-19)30(2)3)18-21-10-7-20(13-24(21)32)14-28-29(33)23-15-26(34-4)27(35-5)16-25(23)36-28/h7-16,32H,6,17-18H2,1-5H3/b28-14-
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n/an/a 2.88E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50234826
PNG
(CHEMBL4063760)
Show SMILES COc1cc2O\C(=C/c3ccc(O)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C17H14O5/c1-20-14-8-12-13(9-15(14)21-2)22-16(17(12)19)7-10-3-5-11(18)6-4-10/h3-9,18H,1-2H3/b16-7-
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Article
PubMed
n/an/a 2.97E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234822
PNG
(CHEMBL4099799)
Show SMILES CCN(Cc1ccc(cc1)N(C)C)Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1O
Show InChI InChI=1S/C29H32N2O5/c1-6-31(17-19-8-11-22(12-9-19)30(2)3)18-21-10-7-20(13-24(21)32)14-28-29(33)23-15-26(34-4)27(35-5)16-25(23)36-28/h7-16,32H,6,17-18H2,1-5H3/b28-14-
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 4.31E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%