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Compile Data Set for Download or QSAR

Found 375 hits with Last Name = 'liu' and Initial = 'qh'   
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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 8.20n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)

Eur J Med Chem 138: 715-728 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.008
BindingDB Entry DOI: 10.7270/Q2S46VKC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 11.5n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A (unknown origin)

Eur J Med Chem 138: 715-728 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.008
BindingDB Entry DOI: 10.7270/Q2S46VKC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50456663
PNG
(CHEMBL4215298)
Show SMILES CN(CCCCOc1ccc2ccc(=O)oc2c1)CC#C
Show InChI InChI=1S/C17H19NO3/c1-3-10-18(2)11-4-5-12-20-15-8-6-14-7-9-17(19)21-16(14)13-15/h1,6-9,13H,4-5,10-12H2,2H3
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n/an/a 27n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...

Eur J Med Chem 138: 715-728 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.008
BindingDB Entry DOI: 10.7270/Q2S46VKC
More data for this
Ligand-Target Pair
Acetylcholinesterase


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



China Pharmaceutical University

Curated by ChEMBL


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

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


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


(Homo sapiens (Human))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 41n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

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


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


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



China Pharmaceutical University

Curated by ChEMBL


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

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


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


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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...

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


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


(Equus caballus (Horse))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 46n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

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


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


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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human 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


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



China Pharmaceutical University

Curated by ChEMBL


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

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


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


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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...

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


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


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



China Pharmaceutical University

Curated by ChEMBL


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

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


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


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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...

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


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


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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...

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


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


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



China Pharmaceutical University

Curated by ChEMBL


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

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


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


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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...

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


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


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

Curated by ChEMBL


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

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


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


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

Curated by ChEMBL


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

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


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


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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...

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


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


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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...

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


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


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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...

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


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


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

Curated by ChEMBL


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

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


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


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

Curated by ChEMBL


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

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


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


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



China Pharmaceutical University

Curated by ChEMBL


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

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


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


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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...

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


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


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

Curated by ChEMBL


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

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


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


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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...

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


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...

Eur J Med Chem 138: 715-728 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.008
BindingDB Entry DOI: 10.7270/Q2S46VKC
More data for this
Ligand-Target Pair
Acetylcholinesterase


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

Curated by ChEMBL


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

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


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


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

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...

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


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by fluorescenc...

Bioorg Med Chem 25: 5917-5928 (2017)


Article DOI: 10.1016/j.bmc.2017.08.048
BindingDB Entry DOI: 10.7270/Q2TH8Q8J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...

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


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


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

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...

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


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


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

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...

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


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


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



China Pharmaceutical University

Curated by ChEMBL


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

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


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


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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...

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


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


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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...

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


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


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

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...

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


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


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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...

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


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


(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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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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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))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 459n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

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


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


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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...

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


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