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PubMed code 28458136

Compile data set for download or QSAR
Found 57 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Homo sapiens (Human))		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 12n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


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

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 15n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
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 27n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50267499
PNG
(CHEMBL4100298)
Show SMILES CCN(CCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C33H38N2O8/c1-5-35(20-23-10-6-7-11-26(23)39-2)17-9-8-16-34-30(37)21-42-24-14-12-22(13-15-24)27-18-25(36)31-28(43-27)19-29(40-3)33(41-4)32(31)38/h6-7,10-15,18-19,38H,5,8-9,16-17,20-21H2,1-4H3,(H,34,37)
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n/an/a 39n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


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

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267499
PNG
(CHEMBL4100298)
Show SMILES CCN(CCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C33H38N2O8/c1-5-35(20-23-10-6-7-11-26(23)39-2)17-9-8-16-34-30(37)21-42-24-14-12-22(13-15-24)27-18-25(36)31-28(43-27)19-29(40-3)33(41-4)32(31)38/h6-7,10-15,18-19,38H,5,8-9,16-17,20-21H2,1-4H3,(H,34,37)
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n/an/a 51n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50267491
PNG
(CHEMBL4098654)
Show SMILES CCN(CCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C34H40N2O8/c1-6-36(21-24-11-7-8-12-27(24)39-2)18-10-9-17-35-31(38)22-43-25-15-13-23(14-16-25)28-19-26(37)32-29(44-28)20-30(40-3)33(41-4)34(32)42-5/h7-8,11-16,19-20H,6,9-10,17-18,21-22H2,1-5H3,(H,35,38)
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n/an/a 63n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


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

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267491
PNG
(CHEMBL4098654)
Show SMILES CCN(CCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C34H40N2O8/c1-6-36(21-24-11-7-8-12-27(24)39-2)18-10-9-17-35-31(38)22-43-25-15-13-23(14-16-25)28-19-26(37)32-29(44-28)20-30(40-3)33(41-4)34(32)42-5/h7-8,11-16,19-20H,6,9-10,17-18,21-22H2,1-5H3,(H,35,38)
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n/an/a 74n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267550
PNG
(CHEMBL4101369)
Show SMILES CCN(CCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C33H38N2O8/c1-6-35(20-23-10-7-8-11-26(23)38-2)17-9-16-34-30(37)21-42-24-14-12-22(13-15-24)27-18-25(36)31-28(43-27)19-29(39-3)32(40-4)33(31)41-5/h7-8,10-15,18-19H,6,9,16-17,20-21H2,1-5H3,(H,34,37)
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n/an/a 240n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267497
PNG
(CHEMBL4064070)
Show SMILES CCN(CCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C32H36N2O8/c1-5-34(19-22-9-6-7-10-25(22)38-2)16-8-15-33-29(36)20-41-23-13-11-21(12-14-23)26-17-24(35)30-27(42-26)18-28(39-3)32(40-4)31(30)37/h6-7,9-14,17-18,37H,5,8,15-16,19-20H2,1-4H3,(H,33,36)
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n/an/a 310n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267492
PNG
(CHEMBL4068935)
Show SMILES CCN(CCCCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C36H44N2O8/c1-6-38(23-26-13-9-10-14-29(26)41-2)20-12-8-7-11-19-37-33(40)24-45-27-17-15-25(16-18-27)30-21-28(39)34-31(46-30)22-32(42-3)35(43-4)36(34)44-5/h9-10,13-18,21-22H,6-8,11-12,19-20,23-24H2,1-5H3,(H,37,40)
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n/an/a 350n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267500
PNG
(CHEMBL4092562)
Show SMILES CCN(CCCCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C35H42N2O8/c1-5-37(22-25-12-8-9-13-28(25)41-2)19-11-7-6-10-18-36-32(39)23-44-26-16-14-24(15-17-26)29-20-27(38)33-30(45-29)21-31(42-3)35(43-4)34(33)40/h8-9,12-17,20-21,40H,5-7,10-11,18-19,22-23H2,1-4H3,(H,36,39)
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n/an/a 370n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267504
PNG
(CHEMBL4063292)
Show SMILES CCN(CCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1
Show InChI InChI=1S/C31H34N2O7/c1-5-33(19-21-9-7-6-8-10-21)16-15-32-28(35)20-39-23-13-11-22(12-14-23)25-17-24(34)29-26(40-25)18-27(36-2)30(37-3)31(29)38-4/h6-14,17-18H,5,15-16,19-20H2,1-4H3,(H,32,35)
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n/an/a 580n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267552
PNG
(CHEMBL4078020)
Show SMILES CCN(CCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1
Show InChI InChI=1S/C33H38N2O7/c1-5-35(21-23-11-7-6-8-12-23)18-10-9-17-34-30(37)22-41-25-15-13-24(14-16-25)27-19-26(36)31-28(42-27)20-29(38-2)32(39-3)33(31)40-4/h6-8,11-16,19-20H,5,9-10,17-18,21-22H2,1-4H3,(H,34,37)
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n/an/a 760n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50267492
PNG
(CHEMBL4068935)
Show SMILES CCN(CCCCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C36H44N2O8/c1-6-38(23-26-13-9-10-14-29(26)41-2)20-12-8-7-11-19-37-33(40)24-45-27-17-15-25(16-18-27)30-21-28(39)34-31(46-30)22-32(42-3)35(43-4)36(34)44-5/h9-10,13-18,21-22H,6-8,11-12,19-20,23-24H2,1-5H3,(H,37,40)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


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

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50267500
PNG
(CHEMBL4092562)
Show SMILES CCN(CCCCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C35H42N2O8/c1-5-37(22-25-12-8-9-13-28(25)41-2)19-11-7-6-10-18-36-32(39)23-44-26-16-14-24(15-17-26)29-20-27(38)33-30(45-29)21-31(42-3)35(43-4)34(33)40/h8-9,12-17,20-21,40H,5-7,10-11,18-19,22-23H2,1-4H3,(H,36,39)
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n/an/a 1.37E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


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

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267505
PNG
(CHEMBL4092697)
Show SMILES COc1ccccc1CN(C)CCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C31H34N2O8/c1-33(18-21-8-6-7-9-24(21)36-2)15-14-32-28(35)19-40-22-12-10-20(11-13-22)25-16-23(34)29-26(41-25)17-27(37-3)30(38-4)31(29)39-5/h6-13,16-17H,14-15,18-19H2,1-5H3,(H,32,35)
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n/an/a 1.44E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267514
PNG
(CHEMBL4074677)
Show SMILES COc1ccccc1CN(C)CCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C32H36N2O8/c1-34(19-22-9-6-7-10-25(22)37-2)16-8-15-33-29(36)20-41-23-13-11-21(12-14-23)26-17-24(35)30-27(42-26)18-28(38-3)31(39-4)32(30)40-5/h6-7,9-14,17-18H,8,15-16,19-20H2,1-5H3,(H,33,36)
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n/an/a 1.58E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267494
PNG
(CHEMBL4103970)
Show SMILES COc1ccccc1CN(C)CCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C30H32N2O8/c1-32(17-20-7-5-6-8-23(20)36-2)14-13-31-27(34)18-39-21-11-9-19(10-12-21)24-15-22(33)28-25(40-24)16-26(37-3)30(38-4)29(28)35/h5-12,15-16,35H,13-14,17-18H2,1-4H3,(H,31,34)
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n/an/a 1.97E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267498
PNG
(CHEMBL4073458)
Show SMILES COc1ccccc1CN(C)CCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C32H36N2O8/c1-34(19-22-9-5-6-10-25(22)38-2)16-8-7-15-33-29(36)20-41-23-13-11-21(12-14-23)26-17-24(35)30-27(42-26)18-28(39-3)32(40-4)31(30)37/h5-6,9-14,17-18,37H,7-8,15-16,19-20H2,1-4H3,(H,33,36)
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n/an/a 2.29E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267506
PNG
(CHEMBL4071918)
Show SMILES CCN(CCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C32H36N2O8/c1-6-34(19-22-9-7-8-10-25(22)37-2)16-15-33-29(36)20-41-23-13-11-21(12-14-23)26-17-24(35)30-27(42-26)18-28(38-3)31(39-4)32(30)40-5/h7-14,17-18H,6,15-16,19-20H2,1-5H3,(H,33,36)
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n/an/a 2.39E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267496
PNG
(CHEMBL4091828)
Show SMILES COc1ccccc1CN(C)CCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C31H34N2O8/c1-33(18-21-8-5-6-9-24(21)37-2)15-7-14-32-28(35)19-40-22-12-10-20(11-13-22)25-16-23(34)29-26(41-25)17-27(38-3)31(39-4)30(29)36/h5-6,8-13,16-17,36H,7,14-15,18-19H2,1-4H3,(H,32,35)
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n/an/a 2.59E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267502
PNG
(CHEMBL4060260)
Show SMILES CCN(CCCCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1
Show InChI InChI=1S/C35H42N2O7/c1-5-37(23-25-13-9-8-10-14-25)20-12-7-6-11-19-36-32(39)24-43-27-17-15-26(16-18-27)29-21-28(38)33-30(44-29)22-31(40-2)34(41-3)35(33)42-4/h8-10,13-18,21-22H,5-7,11-12,19-20,23-24H2,1-4H3,(H,36,39)
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n/an/a 2.84E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267512
PNG
(CHEMBL4072520)
Show SMILES CCN(CCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1
Show InChI InChI=1S/C32H36N2O7/c1-5-34(20-22-10-7-6-8-11-22)17-9-16-33-29(36)21-40-24-14-12-23(13-15-24)26-18-25(35)30-27(41-26)19-28(37-2)31(38-3)32(30)39-4/h6-8,10-15,18-19H,5,9,16-17,20-21H2,1-4H3,(H,33,36)
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n/an/a 3.28E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267513
PNG
(CHEMBL4088486)
Show SMILES COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccc(OCC(=O)NCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C34H40N2O7/c1-36(22-24-12-8-7-9-13-24)19-11-6-5-10-18-35-31(38)23-42-26-16-14-25(15-17-26)28-20-27(37)32-29(43-28)21-30(39-2)33(40-3)34(32)41-4/h7-9,12-17,20-21H,5-6,10-11,18-19,22-23H2,1-4H3,(H,35,38)
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n/an/a 4.63E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267495
PNG
(CHEMBL4079709)
Show SMILES CCN(CCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C31H34N2O8/c1-5-33(18-21-8-6-7-9-24(21)37-2)15-14-32-28(35)19-40-22-12-10-20(11-13-22)25-16-23(34)29-26(41-25)17-27(38-3)31(39-4)30(29)36/h6-13,16-17,36H,5,14-15,18-19H2,1-4H3,(H,32,35)
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n/an/a 4.98E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267514
PNG
(CHEMBL4074677)
Show SMILES COc1ccccc1CN(C)CCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C32H36N2O8/c1-34(19-22-9-6-7-10-25(22)37-2)16-8-15-33-29(36)20-41-23-13-11-21(12-14-23)26-17-24(35)30-27(42-26)18-28(38-3)31(39-4)32(30)40-5/h6-7,9-14,17-18H,8,15-16,19-20H2,1-5H3,(H,33,36)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267551
PNG
(CHEMBL4096067)
Show SMILES COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccc(OCC(=O)NCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C32H36N2O7/c1-34(20-22-10-6-5-7-11-22)17-9-8-16-33-29(36)21-40-24-14-12-23(13-15-24)26-18-25(35)30-27(41-26)19-28(37-2)31(38-3)32(30)39-4/h5-7,10-15,18-19H,8-9,16-17,20-21H2,1-4H3,(H,33,36)
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n/an/a 5.36E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267493
PNG
(CHEMBL4096208)
Show SMILES COc1ccccc1CN(C)CCCCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C35H42N2O8/c1-37(22-25-12-8-9-13-28(25)40-2)19-11-7-6-10-18-36-32(39)23-44-26-16-14-24(15-17-26)29-20-27(38)33-30(45-29)21-31(41-3)34(42-4)35(33)43-5/h8-9,12-17,20-21H,6-7,10-11,18-19,22-23H2,1-5H3,(H,36,39)
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n/an/a 5.54E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267550
PNG
(CHEMBL4101369)
Show SMILES CCN(CCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C33H38N2O8/c1-6-35(20-23-10-7-8-11-26(23)38-2)17-9-16-34-30(37)21-42-24-14-12-22(13-15-24)27-18-25(36)31-28(43-27)19-29(39-3)32(40-4)33(31)41-5/h7-8,10-15,18-19H,6,9,16-17,20-21H2,1-5H3,(H,34,37)
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n/an/a 6.63E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267501
PNG
(CHEMBL4064861)
Show SMILES COc1ccccc1CN(C)CCCCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C34H40N2O8/c1-36(21-24-11-7-8-12-27(24)40-2)18-10-6-5-9-17-35-31(38)22-43-25-15-13-23(14-16-25)28-19-26(37)32-29(44-28)20-30(41-3)34(42-4)33(32)39/h7-8,11-16,19-20,39H,5-6,9-10,17-18,21-22H2,1-4H3,(H,35,38)
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n/an/a 6.63E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267506
PNG
(CHEMBL4071918)
Show SMILES CCN(CCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C32H36N2O8/c1-6-34(19-22-9-7-8-10-25(22)37-2)16-15-33-29(36)20-41-23-13-11-21(12-14-23)26-17-24(35)30-27(42-26)18-28(38-3)31(39-4)32(30)40-5/h7-14,17-18H,6,15-16,19-20H2,1-5H3,(H,33,36)
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n/an/a 6.81E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267553
PNG
(CHEMBL4080617)
Show SMILES COc1ccccc1CN(C)CCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C33H38N2O8/c1-35(20-23-10-6-7-11-26(23)38-2)17-9-8-16-34-30(37)21-42-24-14-12-22(13-15-24)27-18-25(36)31-28(43-27)19-29(39-3)32(40-4)33(31)41-5/h6-7,10-15,18-19H,8-9,16-17,20-21H2,1-5H3,(H,34,37)
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n/an/a 8.32E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267511
PNG
(CHEMBL4066065)
Show SMILES COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccc(OCC(=O)NCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C31H34N2O7/c1-33(19-21-9-6-5-7-10-21)16-8-15-32-28(35)20-39-23-13-11-22(12-14-23)25-17-24(34)29-26(40-25)18-27(36-2)30(37-3)31(29)38-4/h5-7,9-14,17-18H,8,15-16,19-20H2,1-4H3,(H,32,35)
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n/an/a 8.42E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267491
PNG
(CHEMBL4098654)
Show SMILES CCN(CCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C34H40N2O8/c1-6-36(21-24-11-7-8-12-27(24)39-2)18-10-9-17-35-31(38)22-43-25-15-13-23(14-16-25)28-19-26(37)32-29(44-28)20-30(40-3)33(41-4)34(32)42-5/h7-8,11-16,19-20H,6,9-10,17-18,21-22H2,1-5H3,(H,35,38)
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n/an/a 9.77E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267497
PNG
(CHEMBL4064070)
Show SMILES CCN(CCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C32H36N2O8/c1-5-34(19-22-9-6-7-10-25(22)38-2)16-8-15-33-29(36)20-41-23-13-11-21(12-14-23)26-17-24(35)30-27(42-26)18-28(39-3)32(40-4)31(30)37/h6-7,9-14,17-18,37H,5,8,15-16,19-20H2,1-4H3,(H,33,36)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267500
PNG
(CHEMBL4092562)
Show SMILES CCN(CCCCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C35H42N2O8/c1-5-37(22-25-12-8-9-13-28(25)41-2)19-11-7-6-10-18-36-32(39)23-44-26-16-14-24(15-17-26)29-20-27(38)33-30(45-29)21-31(42-3)35(43-4)34(33)40/h8-9,12-17,20-21,40H,5-7,10-11,18-19,22-23H2,1-4H3,(H,36,39)
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n/an/a 1.17E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267501
PNG
(CHEMBL4064861)
Show SMILES COc1ccccc1CN(C)CCCCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C34H40N2O8/c1-36(21-24-11-7-8-12-27(24)40-2)18-10-6-5-9-17-35-31(38)22-43-25-15-13-23(14-16-25)28-19-26(37)32-29(44-28)20-30(41-3)34(42-4)33(32)39/h7-8,11-16,19-20,39H,5-6,9-10,17-18,21-22H2,1-4H3,(H,35,38)
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n/an/a 1.23E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267505
PNG
(CHEMBL4092697)
Show SMILES COc1ccccc1CN(C)CCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C31H34N2O8/c1-33(18-21-8-6-7-9-24(21)36-2)15-14-32-28(35)19-40-22-12-10-20(11-13-22)25-16-23(34)29-26(41-25)17-27(37-3)30(38-4)31(29)39-5/h6-13,16-17H,14-15,18-19H2,1-5H3,(H,32,35)
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n/an/a 1.34E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267551
PNG
(CHEMBL4096067)
Show SMILES COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccc(OCC(=O)NCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C32H36N2O7/c1-34(20-22-10-6-5-7-11-22)17-9-8-16-33-29(36)21-40-24-14-12-23(13-15-24)26-18-25(35)30-27(41-26)19-28(37-2)31(38-3)32(30)39-4/h5-7,10-15,18-19H,8-9,16-17,20-21H2,1-4H3,(H,33,36)
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n/an/a 1.39E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267494
PNG
(CHEMBL4103970)
Show SMILES COc1ccccc1CN(C)CCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C30H32N2O8/c1-32(17-20-7-5-6-8-23(20)36-2)14-13-31-27(34)18-39-21-11-9-19(10-12-21)24-15-22(33)28-25(40-24)16-26(37-3)30(38-4)29(28)35/h5-12,15-16,35H,13-14,17-18H2,1-4H3,(H,31,34)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267495
PNG
(CHEMBL4079709)
Show SMILES CCN(CCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C31H34N2O8/c1-5-33(18-21-8-6-7-9-24(21)37-2)15-14-32-28(35)19-40-22-12-10-20(11-13-22)25-16-23(34)29-26(41-25)17-27(38-3)31(39-4)30(29)36/h6-13,16-17,36H,5,14-15,18-19H2,1-4H3,(H,32,35)
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n/an/a 1.41E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267552
PNG
(CHEMBL4078020)
Show SMILES CCN(CCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1
Show InChI InChI=1S/C33H38N2O7/c1-5-35(21-23-11-7-6-8-12-23)18-10-9-17-34-30(37)22-41-25-15-13-24(14-16-25)27-19-26(36)31-28(42-27)20-29(38-2)32(39-3)33(31)40-4/h6-8,11-16,19-20H,5,9-10,17-18,21-22H2,1-4H3,(H,34,37)
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n/an/a 1.44E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267496
PNG
(CHEMBL4091828)
Show SMILES COc1ccccc1CN(C)CCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C31H34N2O8/c1-33(18-21-8-5-6-9-24(21)37-2)15-7-14-32-28(35)19-40-22-12-10-20(11-13-22)25-16-23(34)29-26(41-25)17-27(38-3)31(39-4)30(29)36/h5-6,8-13,16-17,36H,7,14-15,18-19H2,1-4H3,(H,32,35)
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n/an/a 1.55E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50267503
PNG
(CHEMBL4084943)
Show SMILES COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccc(OCC(=O)NCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C30H32N2O7/c1-32(18-20-8-6-5-7-9-20)15-14-31-27(34)19-38-22-12-10-21(11-13-22)24-16-23(33)28-25(39-24)17-26(35-2)29(36-3)30(28)37-4/h5-13,16-17H,14-15,18-19H2,1-4H3,(H,31,34)
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n/an/a 1.58E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267499
PNG
(CHEMBL4100298)
Show SMILES CCN(CCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C33H38N2O8/c1-5-35(20-23-10-6-7-11-26(23)39-2)17-9-8-16-34-30(37)21-42-24-14-12-22(13-15-24)27-18-25(36)31-28(43-27)19-29(40-3)33(41-4)32(31)38/h6-7,10-15,18-19,38H,5,8-9,16-17,20-21H2,1-4H3,(H,34,37)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267504
PNG
(CHEMBL4063292)
Show SMILES CCN(CCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1
Show InChI InChI=1S/C31H34N2O7/c1-5-33(19-21-9-7-6-8-10-21)16-15-32-28(35)20-39-23-13-11-22(12-14-23)25-17-24(34)29-26(40-25)18-27(36-2)30(37-3)31(29)38-4/h6-14,17-18H,5,15-16,19-20H2,1-4H3,(H,32,35)
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n/an/a 1.62E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267493
PNG
(CHEMBL4096208)
Show SMILES COc1ccccc1CN(C)CCCCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C35H42N2O8/c1-37(22-25-12-8-9-13-28(25)40-2)19-11-7-6-10-18-36-32(39)23-44-26-16-14-24(15-17-26)29-20-27(38)33-30(45-29)21-31(41-3)34(42-4)35(33)43-5/h8-9,12-17,20-21H,6-7,10-11,18-19,22-23H2,1-5H3,(H,36,39)
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n/an/a 1.62E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267498
PNG
(CHEMBL4073458)
Show SMILES COc1ccccc1CN(C)CCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C32H36N2O8/c1-34(19-22-9-5-6-10-25(22)38-2)16-8-7-15-33-29(36)20-41-23-13-11-21(12-14-23)26-17-24(35)30-27(42-26)18-28(39-3)32(40-4)31(30)37/h5-6,9-14,17-18,37H,7-8,15-16,19-20H2,1-4H3,(H,33,36)
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n/an/a 1.71E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267492
PNG
(CHEMBL4068935)
Show SMILES CCN(CCCCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C36H44N2O8/c1-6-38(23-26-13-9-10-14-29(26)41-2)20-12-8-7-11-19-37-33(40)24-45-27-17-15-25(16-18-27)30-21-28(39)34-31(46-30)22-32(42-3)35(43-4)36(34)44-5/h9-10,13-18,21-22H,6-8,11-12,19-20,23-24H2,1-5H3,(H,37,40)
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n/an/a 1.77E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267503
PNG
(CHEMBL4084943)
Show SMILES COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccc(OCC(=O)NCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C30H32N2O7/c1-32(18-20-8-6-5-7-9-20)15-14-31-27(34)19-38-22-12-10-21(11-13-22)24-16-23(33)28-25(39-24)17-26(35-2)29(36-3)30(28)37-4/h5-13,16-17H,14-15,18-19H2,1-4H3,(H,31,34)
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n/an/a 1.79E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267553
PNG
(CHEMBL4080617)
Show SMILES COc1ccccc1CN(C)CCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C33H38N2O8/c1-35(20-23-10-6-7-11-26(23)38-2)17-9-8-16-34-30(37)21-42-24-14-12-22(13-15-24)27-18-25(36)31-28(43-27)19-29(39-3)32(40-4)33(31)41-5/h6-7,10-15,18-19H,8-9,16-17,20-21H2,1-5H3,(H,34,37)
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n/an/a 1.84E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267512
PNG
(CHEMBL4072520)
Show SMILES CCN(CCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1
Show InChI InChI=1S/C32H36N2O7/c1-5-34(20-22-10-7-6-8-11-22)17-9-16-33-29(36)21-40-24-14-12-23(13-15-24)26-18-25(35)30-27(41-26)19-28(37-2)31(38-3)32(30)39-4/h6-8,10-15,18-19H,5,9,16-17,20-21H2,1-4H3,(H,33,36)
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n/an/a 1.86E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267513
PNG
(CHEMBL4088486)
Show SMILES COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccc(OCC(=O)NCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C34H40N2O7/c1-36(22-24-12-8-7-9-13-24)19-11-6-5-10-18-35-31(38)23-42-26-16-14-25(15-17-26)28-20-27(37)32-29(43-28)21-30(39-2)33(40-3)34(32)41-4/h7-9,12-17,20-21H,5-6,10-11,18-19,22-23H2,1-4H3,(H,35,38)
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n/an/a 2.34E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267511
PNG
(CHEMBL4066065)
Show SMILES COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccc(OCC(=O)NCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C31H34N2O7/c1-33(19-21-9-6-5-7-10-21)16-8-15-32-28(35)20-39-23-13-11-22(12-14-23)25-17-24(34)29-26(40-25)18-27(36-2)30(37-3)31(29)38-4/h5-7,9-14,17-18H,8,15-16,19-20H2,1-4H3,(H,32,35)
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n/an/a 2.35E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50267502
PNG
(CHEMBL4060260)
Show SMILES CCN(CCCCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1
Show InChI InChI=1S/C35H42N2O7/c1-5-37(23-25-13-9-8-10-14-25)20-12-7-6-11-19-36-32(39)24-43-27-17-15-26(16-18-27)29-21-28(38)33-30(44-29)22-31(40-2)34(41-3)35(33)42-4/h8-10,13-18,21-22H,5-7,11-12,19-20,23-24H2,1-4H3,(H,36,39)
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n/an/a 3.32E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50049394
PNG
(5,4'-Dihydroxy-6,7-dimethoxyflavone | 5-Hydroxy-2-...)
Show SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1
Show InChI InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50064136
PNG
(CHEBI:79510 | CHEMBL74490 | NSC-53906)
Show SMILES COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccc(O)cc1
Show InChI InChI=1S/C18H16O6/c1-21-15-9-14-16(18(23-3)17(15)22-2)12(20)8-13(24-14)10-4-6-11(19)7-5-10/h4-9,19H,1-3H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...

Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%