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PubMed code 27061983

Compile data set for download or QSAR
Found 48 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50165323
PNG
(CHEMBL3799558)
Show SMILES COc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)c(OC)c1OC
Show InChI InChI=1S/C26H28N2O6/c1-31-21-13-12-16(25(32-2)26(21)33-3)14-23(30)34-15-22(29)28-24-17-8-4-6-10-19(17)27-20-11-7-5-9-18(20)24/h4,6,8,10,12-13H,5,7,9,11,14-15H2,1-3H3,(H,27,28,29)
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n/an/a 5.60n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50165358
PNG
(CHEMBL3799641)
Show SMILES O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C25H23N3O3/c29-23(15-31-24(30)13-16-14-26-20-10-4-1-7-17(16)20)28-25-18-8-2-5-11-21(18)27-22-12-6-3-9-19(22)25/h1-2,4-5,7-8,10-11,14,26H,3,6,9,12-13,15H2,(H,27,28,29)
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n/an/a 8.10n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50165334
PNG
(CHEMBL3797363)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C25H26N2O6/c1-30-20-12-15(13-21(31-2)24(20)32-3)25(29)33-14-22(28)27-23-16-8-4-6-10-18(16)26-19-11-7-5-9-17(19)23/h4,6,8,10,12-13H,5,7,9,11,14H2,1-3H3,(H,26,27,28)
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n/an/a 8.5n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(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 12n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
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 14n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50165336
PNG
(CHEMBL3799703)
Show SMILES COc1ccc(C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)c(OC)c1OC
Show InChI InChI=1S/C25H26N2O6/c1-30-20-13-12-17(23(31-2)24(20)32-3)25(29)33-14-21(28)27-22-15-8-4-6-10-18(15)26-19-11-7-5-9-16(19)22/h4,6,8,10,12-13H,5,7,9,11,14H2,1-3H3,(H,26,27,28)
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n/an/a 15n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50165345
PNG
(CHEMBL3800317)
Show SMILES COc1ccc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C26H26N2O5/c1-31-22-13-11-17(15-23(22)32-2)12-14-25(30)33-16-24(29)28-26-18-7-3-5-9-20(18)27-21-10-6-4-8-19(21)26/h3,5,7,9,11-15H,4,6,8,10,16H2,1-2H3,(H,27,28,29)/b14-12+
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n/an/a 16n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50165333
PNG
(CHEMBL3798989)
Show SMILES COc1cc(OC)cc(c1)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H24N2O5/c1-29-16-11-15(12-17(13-16)30-2)24(28)31-14-22(27)26-23-18-7-3-5-9-20(18)25-21-10-6-4-8-19(21)23/h3,5,7,9,11-13H,4,6,8,10,14H2,1-2H3,(H,25,26,27)
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n/an/a 16n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50165346
PNG
(CHEMBL3799950)
Show SMILES COc1cc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C27H28N2O6/c1-32-22-14-17(15-23(33-2)27(22)34-3)12-13-25(31)35-16-24(30)29-26-18-8-4-6-10-20(18)28-21-11-7-5-9-19(21)26/h4,6,8,10,12-15H,5,7,9,11,16H2,1-3H3,(H,28,29,30)/b13-12+
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n/an/a 17n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50165344
PNG
(CHEMBL3800453)
Show SMILES Oc1ccc(cc1O)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C22H20N2O5/c25-18-10-9-13(11-19(18)26)22(28)29-12-20(27)24-21-14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)21/h1,3,5,7,9-11,25-26H,2,4,6,8,12H2,(H,23,24,27)
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n/an/a 17n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50165322
PNG
(CHEMBL3797706)
Show SMILES COc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C25H26N2O5/c1-30-21-12-11-16(13-22(21)31-2)14-24(29)32-15-23(28)27-25-17-7-3-5-9-19(17)26-20-10-6-4-8-18(20)25/h3,5,7,9,11-13H,4,6,8,10,14-15H2,1-2H3,(H,26,27,28)
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n/an/a 23n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50165321
PNG
(CHEMBL3797646)
Show SMILES COc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C24H24N2O4/c1-29-17-12-10-16(11-13-17)14-23(28)30-15-22(27)26-24-18-6-2-4-8-20(18)25-21-9-5-3-7-19(21)24/h2,4,6,8,10-13H,3,5,7,9,14-15H2,1H3,(H,25,26,27)
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n/an/a 25n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50165334
PNG
(CHEMBL3797363)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C25H26N2O6/c1-30-20-12-15(13-21(31-2)24(20)32-3)25(29)33-14-22(28)27-23-16-8-4-6-10-18(16)26-19-11-7-5-9-17(19)23/h4,6,8,10,12-13H,5,7,9,11,14H2,1-3H3,(H,26,27,28)
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n/an/a 31n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50165343
PNG
(CHEMBL3797381)
Show SMILES COc1cc(ccc1O)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C23H22N2O5/c1-29-20-12-14(10-11-19(20)26)23(28)30-13-21(27)25-22-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)22/h2,4,6,8,10-12,26H,3,5,7,9,13H2,1H3,(H,24,25,27)
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n/an/a 37n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50165358
PNG
(CHEMBL3799641)
Show SMILES O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C25H23N3O3/c29-23(15-31-24(30)13-16-14-26-20-10-4-1-7-17(16)20)28-25-18-8-2-5-11-21(18)27-22-12-6-3-9-19(22)25/h1-2,4-5,7-8,10-11,14,26H,3,6,9,12-13,15H2,(H,27,28,29)
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n/an/a 39n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50165324
PNG
(CHEMBL3798857)
Show SMILES Oc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C23H22N2O4/c26-16-11-9-15(10-12-16)13-22(28)29-14-21(27)25-23-17-5-1-3-7-19(17)24-20-8-4-2-6-18(20)23/h1,3,5,7,9-12,26H,2,4,6,8,13-14H2,(H,24,25,27)
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n/an/a 45n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50165347
PNG
(CHEMBL3798813)
Show SMILES COc1ccc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C25H24N2O5/c1-31-22-12-10-16(14-21(22)28)11-13-24(30)32-15-23(29)27-25-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)25/h2,4,6,8,10-14,28H,3,5,7,9,15H2,1H3,(H,26,27,29)/b13-11+
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n/an/a 46n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50165346
PNG
(CHEMBL3799950)
Show SMILES COc1cc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C27H28N2O6/c1-32-22-14-17(15-23(33-2)27(22)34-3)12-13-25(31)35-16-24(30)29-26-18-8-4-6-10-20(18)28-21-11-7-5-9-19(21)26/h4,6,8,10,12-15H,5,7,9,11,16H2,1-3H3,(H,28,29,30)/b13-12+
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n/an/a 46n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50165345
PNG
(CHEMBL3800317)
Show SMILES COc1ccc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C26H26N2O5/c1-31-22-13-11-17(15-23(22)32-2)12-14-25(30)33-16-24(29)28-26-18-7-3-5-9-20(18)27-21-10-6-4-8-19(21)26/h3,5,7,9,11-15H,4,6,8,10,16H2,1-2H3,(H,27,28,29)/b14-12+
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n/an/a 49n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50165354
PNG
(CHEMBL3799175)
Show SMILES Clc1ccc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C24H21ClN2O3/c25-17-12-9-16(10-13-17)11-14-23(29)30-15-22(28)27-24-18-5-1-3-7-20(18)26-21-8-4-2-6-19(21)24/h1,3,5,7,9-14H,2,4,6,8,15H2,(H,26,27,28)/b14-11+
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n/an/a 52n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50165323
PNG
(CHEMBL3799558)
Show SMILES COc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)c(OC)c1OC
Show InChI InChI=1S/C26H28N2O6/c1-31-21-13-12-16(25(32-2)26(21)33-3)14-23(30)34-15-22(29)28-24-17-8-4-6-10-19(17)27-20-11-7-5-9-18(20)24/h4,6,8,10,12-13H,5,7,9,11,14-15H2,1-3H3,(H,27,28,29)
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n/an/a 52n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50165333
PNG
(CHEMBL3798989)
Show SMILES COc1cc(OC)cc(c1)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H24N2O5/c1-29-16-11-15(12-17(13-16)30-2)24(28)31-14-22(27)26-23-18-7-3-5-9-20(18)25-21-10-6-4-8-19(21)23/h3,5,7,9,11-13H,4,6,8,10,14H2,1-2H3,(H,25,26,27)
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n/an/a 56n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50165322
PNG
(CHEMBL3797706)
Show SMILES COc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C25H26N2O5/c1-30-21-12-11-16(13-22(21)31-2)14-24(29)32-15-23(28)27-25-17-7-3-5-9-19(17)26-20-10-6-4-8-18(20)25/h3,5,7,9,11-13H,4,6,8,10,14-15H2,1-2H3,(H,26,27,28)
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n/an/a 65n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50165336
PNG
(CHEMBL3799703)
Show SMILES COc1ccc(C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)c(OC)c1OC
Show InChI InChI=1S/C25H26N2O6/c1-30-20-13-12-17(23(31-2)24(20)32-3)25(29)33-14-21(28)27-22-15-8-4-6-10-18(15)26-19-11-7-5-9-16(19)22/h4,6,8,10,12-13H,5,7,9,11,14H2,1-3H3,(H,26,27,28)
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n/an/a 66n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50165343
PNG
(CHEMBL3797381)
Show SMILES COc1cc(ccc1O)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C23H22N2O5/c1-29-20-12-14(10-11-19(20)26)23(28)30-13-21(27)25-22-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)22/h2,4,6,8,10-12,26H,3,5,7,9,13H2,1H3,(H,24,25,27)
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n/an/a 70n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50165321
PNG
(CHEMBL3797646)
Show SMILES COc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C24H24N2O4/c1-29-17-12-10-16(11-13-17)14-23(28)30-15-22(27)26-24-18-6-2-4-8-20(18)25-21-9-5-3-7-19(21)24/h2,4,6,8,10-13H,3,5,7,9,14-15H2,1H3,(H,25,26,27)
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n/an/a 71n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
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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n/an/a 73n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50165324
PNG
(CHEMBL3798857)
Show SMILES Oc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C23H22N2O4/c26-16-11-9-15(10-12-16)13-22(28)29-14-21(27)25-23-17-5-1-3-7-19(17)24-20-8-4-2-6-18(20)23/h1,3,5,7,9-12,26H,2,4,6,8,13-14H2,(H,24,25,27)
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n/an/a 74n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50165347
PNG
(CHEMBL3798813)
Show SMILES COc1ccc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C25H24N2O5/c1-31-22-12-10-16(14-21(22)28)11-13-24(30)32-15-23(29)27-25-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)25/h2,4,6,8,10-14,28H,3,5,7,9,15H2,1H3,(H,26,27,29)/b13-11+
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n/an/a 75n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50165327
PNG
(CHEMBL3797623)
Show SMILES Clc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C23H21ClN2O3/c24-16-11-9-15(10-12-16)13-22(28)29-14-21(27)26-23-17-5-1-3-7-19(17)25-20-8-4-2-6-18(20)23/h1,3,5,7,9-12H,2,4,6,8,13-14H2,(H,25,26,27)
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n/an/a 77n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50165344
PNG
(CHEMBL3800453)
Show SMILES Oc1ccc(cc1O)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C22H20N2O5/c25-18-10-9-13(11-19(18)26)22(28)29-12-20(27)24-21-14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)21/h1,3,5,7,9-11,25-26H,2,4,6,8,12H2,(H,23,24,27)
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n/an/a 133n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50165345
PNG
(CHEMBL3800317)
Show SMILES COc1ccc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C26H26N2O5/c1-31-22-13-11-17(15-23(22)32-2)12-14-25(30)33-16-24(29)28-26-18-7-3-5-9-20(18)27-21-10-6-4-8-19(21)26/h3,5,7,9,11-15H,4,6,8,10,16H2,1-2H3,(H,27,28,29)/b14-12+
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n/an/a 159n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50165327
PNG
(CHEMBL3797623)
Show SMILES Clc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C23H21ClN2O3/c24-16-11-9-15(10-12-16)13-22(28)29-14-21(27)26-23-17-5-1-3-7-19(17)25-20-8-4-2-6-18(20)23/h1,3,5,7,9-12H,2,4,6,8,13-14H2,(H,25,26,27)
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n/an/a 183n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50165354
PNG
(CHEMBL3799175)
Show SMILES Clc1ccc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C24H21ClN2O3/c25-17-12-9-16(10-13-17)11-14-23(29)30-15-22(28)27-24-18-5-1-3-7-20(18)26-21-8-4-2-6-19(21)24/h1,3,5,7,9-14H,2,4,6,8,15H2,(H,26,27,28)/b14-11+
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n/an/a 213n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50165327
PNG
(CHEMBL3797623)
Show SMILES Clc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C23H21ClN2O3/c24-16-11-9-15(10-12-16)13-22(28)29-14-21(27)26-23-17-5-1-3-7-19(17)25-20-8-4-2-6-18(20)23/h1,3,5,7,9-12H,2,4,6,8,13-14H2,(H,25,26,27)
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n/an/a 218n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50165333
PNG
(CHEMBL3798989)
Show SMILES COc1cc(OC)cc(c1)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H24N2O5/c1-29-16-11-15(12-17(13-16)30-2)24(28)31-14-22(27)26-23-18-7-3-5-9-20(18)25-21-10-6-4-8-19(21)23/h3,5,7,9,11-13H,4,6,8,10,14H2,1-2H3,(H,25,26,27)
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n/an/a 224n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50165324
PNG
(CHEMBL3798857)
Show SMILES Oc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C23H22N2O4/c26-16-11-9-15(10-12-16)13-22(28)29-14-21(27)25-23-17-5-1-3-7-19(17)24-20-8-4-2-6-18(20)23/h1,3,5,7,9-12,26H,2,4,6,8,13-14H2,(H,24,25,27)
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n/an/a 239n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50165336
PNG
(CHEMBL3799703)
Show SMILES COc1ccc(C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)c(OC)c1OC
Show InChI InChI=1S/C25H26N2O6/c1-30-20-13-12-17(23(31-2)24(20)32-3)25(29)33-14-21(28)27-22-15-8-4-6-10-18(15)26-19-11-7-5-9-16(19)22/h4,6,8,10,12-13H,5,7,9,11,14H2,1-3H3,(H,26,27,28)
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n/an/a 255n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50165358
PNG
(CHEMBL3799641)
Show SMILES O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C25H23N3O3/c29-23(15-31-24(30)13-16-14-26-20-10-4-1-7-17(16)20)28-25-18-8-2-5-11-21(18)27-22-12-6-3-9-19(22)25/h1-2,4-5,7-8,10-11,14,26H,3,6,9,12-13,15H2,(H,27,28,29)
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Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50165346
PNG
(CHEMBL3799950)
Show SMILES COc1cc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C27H28N2O6/c1-32-22-14-17(15-23(33-2)27(22)34-3)12-13-25(31)35-16-24(30)29-26-18-8-4-6-10-20(18)28-21-11-7-5-9-19(21)26/h4,6,8,10,12-15H,5,7,9,11,16H2,1-3H3,(H,28,29,30)/b13-12+
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Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50165321
PNG
(CHEMBL3797646)
Show SMILES COc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C24H24N2O4/c1-29-17-12-10-16(11-13-17)14-23(28)30-15-22(27)26-24-18-6-2-4-8-20(18)25-21-9-5-3-7-19(21)24/h2,4,6,8,10-13H,3,5,7,9,14-15H2,1H3,(H,25,26,27)
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Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50165343
PNG
(CHEMBL3797381)
Show SMILES COc1cc(ccc1O)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C23H22N2O5/c1-29-20-12-14(10-11-19(20)26)23(28)30-13-21(27)25-22-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)22/h2,4,6,8,10-12,26H,3,5,7,9,13H2,1H3,(H,24,25,27)
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Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50165334
PNG
(CHEMBL3797363)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C25H26N2O6/c1-30-20-12-15(13-21(31-2)24(20)32-3)25(29)33-14-22(28)27-23-16-8-4-6-10-18(16)26-19-11-7-5-9-17(19)23/h4,6,8,10,12-13H,5,7,9,11,14H2,1-3H3,(H,26,27,28)
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Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50165344
PNG
(CHEMBL3800453)
Show SMILES Oc1ccc(cc1O)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C22H20N2O5/c25-18-10-9-13(11-19(18)26)22(28)29-12-20(27)24-21-14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)21/h1,3,5,7,9-11,25-26H,2,4,6,8,12H2,(H,23,24,27)
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Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50165347
PNG
(CHEMBL3798813)
Show SMILES COc1ccc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C25H24N2O5/c1-31-22-12-10-16(14-21(22)28)11-13-24(30)32-15-23(29)27-25-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)25/h2,4,6,8,10-14,28H,3,5,7,9,15H2,1H3,(H,26,27,29)/b13-11+
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Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50165323
PNG
(CHEMBL3799558)
Show SMILES COc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)c(OC)c1OC
Show InChI InChI=1S/C26H28N2O6/c1-31-21-13-12-16(25(32-2)26(21)33-3)14-23(30)34-15-22(29)28-24-17-8-4-6-10-19(17)27-20-11-7-5-9-18(20)24/h4,6,8,10,12-13H,5,7,9,11,14-15H2,1-3H3,(H,27,28,29)
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Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50165354
PNG
(CHEMBL3799175)
Show SMILES Clc1ccc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C24H21ClN2O3/c25-17-12-9-16(10-13-17)11-14-23(29)30-15-22(28)27-24-18-5-1-3-7-20(18)26-21-8-4-2-6-19(21)24/h1,3,5,7,9-14H,2,4,6,8,15H2,(H,26,27,28)/b14-11+
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Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50165322
PNG
(CHEMBL3797706)
Show SMILES COc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C25H26N2O5/c1-30-21-12-11-16(13-22(21)31-2)14-24(29)32-15-23(28)27-25-17-7-3-5-9-19(17)26-20-10-6-4-8-18(20)25/h3,5,7,9,11-13H,4,6,8,10,14-15H2,1-2H3,(H,26,27,28)
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n/an/a 554n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%