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Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'cordier' and Initial = 'w'   
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))
BDBM50231986
PNG
(CHEMBL4083213)
Show SMILES COc1cc2CC(OC(=O)C3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO5/c1-28-20-12-18-13-22(23(26)19(18)14-21(20)29-2)30-24(27)17-8-10-25(11-9-17)15-16-6-4-3-5-7-16/h3-7,12,14,17,22H,8-11,13,15H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 50n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 80n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50513701
PNG
(CHEMBL4434663)
Show SMILES COc1cc2Cc3sc(NC(=O)C4CCN(Cc5ccccc5)CC4)nc3-c2cc1OC
Show InChI InChI=1S/C25H27N3O3S/c1-30-20-12-18-13-22-23(19(18)14-21(20)31-2)26-25(32-22)27-24(29)17-8-10-28(11-9-17)15-16-6-4-3-5-7-16/h3-7,12,14,17H,8-11,13,15H2,1-2H3,(H,26,27,29)
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n/an/a 410n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50280646
PNG
(2-[1-(1-Benzyl-piperidin-4-yl)-meth-(E)-ylidene]-5...)
Show SMILES COc1cc2C\C(=C/C3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO3/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/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+
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n/an/a 420n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231971
PNG
(CHEMBL4101144)
Show SMILES COc1cc2CC(CC3CCCCN3Cc3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-18-12-19(24(26)21(18)15-23(22)28-2)13-20-10-6-7-11-25(20)16-17-8-4-3-5-9-17/h3-5,8-9,14-15,19-20H,6-7,10-13,16H2,1-2H3
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n/an/a 460n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231968
PNG
(CHEMBL4067672)
Show SMILES COc1cc2CC(CC3CCCN(Cc4ccccc4)C3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-13-19-12-20(24(26)21(19)14-23(22)28-2)11-18-9-6-10-25(16-18)15-17-7-4-3-5-8-17/h3-5,7-8,13-14,18,20H,6,9-12,15-16H2,1-2H3
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n/an/a 510n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231974
PNG
(CHEMBL4090024)
Show SMILES COc1cc2C\C(=C/C3CCN(Cc4ccccc4)C3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H25NO3/c1-26-21-12-18-11-19(23(25)20(18)13-22(21)27-2)10-17-8-9-24(15-17)14-16-6-4-3-5-7-16/h3-7,10,12-13,17H,8-9,11,14-15H2,1-2H3/b19-10+
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n/an/a 520n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231982
PNG
(CHEMBL4101215)
Show SMILES COc1cc2CC(C(=O)C3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO4/c1-28-21-13-18-12-20(24(27)19(18)14-22(21)29-2)23(26)17-8-10-25(11-9-17)15-16-6-4-3-5-7-16/h3-7,13-14,17,20H,8-12,15H2,1-2H3
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n/an/a 660n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231989
PNG
(CHEMBL4078831)
Show SMILES COc1cc2C\C(=C/C3CN(Cc4ccccc4)C3)C(=O)c2cc1OC
Show InChI InChI=1S/C22H23NO3/c1-25-20-10-17-9-18(22(24)19(17)11-21(20)26-2)8-16-13-23(14-16)12-15-6-4-3-5-7-15/h3-8,10-11,16H,9,12-14H2,1-2H3/b18-8+
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n/an/a 700n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231984
PNG
(CHEMBL4060269)
Show SMILES COc1cc2C\C(=C/C3CCCCN3Cc3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO3/c1-27-22-14-18-12-19(24(26)21(18)15-23(22)28-2)13-20-10-6-7-11-25(20)16-17-8-4-3-5-9-17/h3-5,8-9,13-15,20H,6-7,10-12,16H2,1-2H3/b19-13+
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n/an/a 750n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231977
PNG
(CHEMBL4090929)
Show SMILES COc1cc2CC(CC3CN(Cc4ccccc4)C3)C(=O)c2cc1OC
Show InChI InChI=1S/C22H25NO3/c1-25-20-10-17-9-18(22(24)19(17)11-21(20)26-2)8-16-13-23(14-16)12-15-6-4-3-5-7-15/h3-7,10-11,16,18H,8-9,12-14H2,1-2H3
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n/an/a 1.13E+3n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231973
PNG
(CHEMBL4082178)
Show SMILES COc1cc2C\C(=C/C3CCCN(Cc4ccccc4)C3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO3/c1-27-22-13-19-12-20(24(26)21(19)14-23(22)28-2)11-18-9-6-10-25(16-18)15-17-7-4-3-5-8-17/h3-5,7-8,11,13-14,18H,6,9-10,12,15-16H2,1-2H3/b20-11+
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n/an/a 1.18E+3n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231972
PNG
(CHEMBL4083147)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)C3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27NO3/c1-26-21-12-18-11-19(23(25)20(18)13-22(21)27-2)10-17-8-9-24(15-17)14-16-6-4-3-5-7-16/h3-7,12-13,17,19H,8-11,14-15H2,1-2H3
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n/an/a 1.74E+3n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231976
PNG
(CHEMBL4083925)
Show SMILES COc1cc2CC(C(=O)OC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO5/c1-28-21-13-17-12-20(23(26)19(17)14-22(21)29-2)24(27)30-18-8-10-25(11-9-18)15-16-6-4-3-5-7-16/h3-7,13-14,18,20H,8-12,15H2,1-2H3
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n/an/a 3.03E+3n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231966
PNG
(CHEMBL4063021)
Show SMILES COc1cc2CC(CC3CCCN3Cc3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27NO3/c1-26-21-13-17-11-18(23(25)20(17)14-22(21)27-2)12-19-9-6-10-24(19)15-16-7-4-3-5-8-16/h3-5,7-8,13-14,18-19H,6,9-12,15H2,1-2H3
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n/an/a 3.16E+3n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 3.57E+3n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 3.58E+3n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using Butyrylthiocholine iodide as substrate by Ellman's method


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50513709
PNG
(CHEMBL4435317)
Show SMILES Cc1c(NC(=O)C2CCN(Cc3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C24H28N4O2/c1-18-22(24(30)28(26(18)2)21-11-7-4-8-12-21)25-23(29)20-13-15-27(16-14-20)17-19-9-5-3-6-10-19/h3-12,20H,13-17H2,1-2H3,(H,25,29)
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n/an/a 5.94E+3n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231979
PNG
(CHEMBL4101917)
Show SMILES COc1cc2CC(C(=O)OCC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H29NO5/c1-29-22-13-19-12-21(24(27)20(19)14-23(22)30-2)25(28)31-16-18-8-10-26(11-9-18)15-17-6-4-3-5-7-17/h3-7,13-14,18,21H,8-12,15-16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231969
PNG
(CHEMBL4068942)
Show SMILES COc1cc2C\C(=C/C3CCCN3Cc3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H25NO3/c1-26-21-13-17-11-18(23(25)20(17)14-22(21)27-2)12-19-9-6-10-24(19)15-16-7-4-3-5-8-16/h3-5,7-8,12-14,19H,6,9-11,15H2,1-2H3/b18-12+
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231980
PNG
(CHEMBL4102845)
Show SMILES COc1cc2CC(C(=O)OCC3CN(Cc4ccccc4)C3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H25NO5/c1-27-20-9-17-8-19(22(25)18(17)10-21(20)28-2)23(26)29-14-16-12-24(13-16)11-15-6-4-3-5-7-15/h3-7,9-10,16,19H,8,11-14H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231983
PNG
(CHEMBL4071648)
Show SMILES COc1cc2CC(CC3CCN3Cc3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C22H25NO3/c1-25-20-12-16-10-17(22(24)19(16)13-21(20)26-2)11-18-8-9-23(18)14-15-6-4-3-5-7-15/h3-7,12-13,17-18H,8-11,14H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231987
PNG
(CHEMBL4102162)
Show SMILES COc1cc2C\C(=C/C3CN3Cc3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C21H21NO3/c1-24-19-10-15-8-16(21(23)18(15)11-20(19)25-2)9-17-13-22(17)12-14-6-4-3-5-7-14/h3-7,9-11,17H,8,12-13H2,1-2H3/b16-9+
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231975
PNG
(CHEMBL4078567)
Show SMILES COc1cc2CC(C(=O)OCC3CCN3Cc3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H25NO5/c1-27-20-11-16-10-19(22(25)18(16)12-21(20)28-2)23(26)29-14-17-8-9-24(17)13-15-6-4-3-5-7-15/h3-7,11-12,17,19H,8-10,13-14H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231978
PNG
(CHEMBL4073551)
Show SMILES COc1cc2CC(C(=O)OCC3CCCN(Cc4ccccc4)C3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H29NO5/c1-29-22-12-19-11-21(24(27)20(19)13-23(22)30-2)25(28)31-16-18-9-6-10-26(15-18)14-17-7-4-3-5-8-17/h3-5,7-8,12-13,18,21H,6,9-11,14-16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231985
PNG
(CHEMBL4064957)
Show SMILES COc1cc2CC(C(=O)OCC3CCN(Cc4ccccc4)C3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO5/c1-28-21-11-18-10-20(23(26)19(18)12-22(21)29-2)24(27)30-15-17-8-9-25(14-17)13-16-6-4-3-5-7-16/h3-7,11-12,17,20H,8-10,13-15H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231970
PNG
(CHEMBL4103107)
Show SMILES COc1cc2C\C(=C/C3CCN3Cc3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C22H23NO3/c1-25-20-12-16-10-17(22(24)19(16)13-21(20)26-2)11-18-8-9-23(18)14-15-6-4-3-5-7-15/h3-7,11-13,18H,8-10,14H2,1-2H3/b17-11+
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231990
PNG
(CHEMBL4094184)
Show SMILES COc1cc2CC(C(=O)OCC3CCCCN3Cc3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H29NO5/c1-29-22-13-18-12-21(24(27)20(18)14-23(22)30-2)25(28)31-16-19-10-6-7-11-26(19)15-17-8-4-3-5-9-17/h3-5,8-9,13-14,19,21H,6-7,10-12,15-16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231988
PNG
(CHEMBL4086424)
Show SMILES COc1cc2CC(C(=O)OCC3CCCN3Cc3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO5/c1-28-21-12-17-11-20(23(26)19(17)13-22(21)29-2)24(27)30-15-18-9-6-10-25(18)14-16-7-4-3-5-8-16/h3-5,7-8,12-13,18,20H,6,9-11,14-15H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231981
PNG
(CHEMBL4095084)
Show SMILES COc1cc2CC(C(=O)OCC3CN3Cc3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C22H23NO5/c1-26-19-9-15-8-18(21(24)17(15)10-20(19)27-2)22(25)28-13-16-12-23(16)11-14-6-4-3-5-7-14/h3-7,9-10,16,18H,8,11-13H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
BindingDB Entry DOI: 10.7270/Q2P84F48
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50513704
PNG
(CHEMBL4456298)
Show SMILES O=C(NCCNc1cccc2ccccc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H29N3O/c29-25(22-13-17-28(18-14-22)19-20-7-2-1-3-8-20)27-16-15-26-24-12-6-10-21-9-4-5-11-23(21)24/h1-12,22,26H,13-19H2,(H,27,29)
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50187127
PNG
(CHEMBL3824057)
Show SMILES O=C(NCCc1c[nH]c2ccccc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H27N3O/c27-23(24-13-10-20-16-25-22-9-5-4-8-21(20)22)19-11-14-26(15-12-19)17-18-6-2-1-3-7-18/h1-9,16,19,25H,10-15,17H2,(H,24,27)
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n/an/a 2.56E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50513708
PNG
(CHEMBL4445708)
Show SMILES O=C(NCc1ccccn1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H23N3O/c23-19(21-14-18-8-4-5-11-20-18)17-9-12-22(13-10-17)15-16-6-2-1-3-7-16/h1-8,11,17H,9-10,12-15H2,(H,21,23)
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n/an/a 3.09E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50513713
PNG
(CHEMBL4583588)
Show SMILES COc1ccccc1CNC(=O)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O2/c1-25-20-10-6-5-9-19(20)15-22-21(24)18-11-13-23(14-12-18)16-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,22,24)
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n/an/a 4.44E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50513702
PNG
(CHEMBL4436831)
Show SMILES O=C(Nc1nccs1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C16H19N3OS/c20-15(18-16-17-8-11-21-16)14-6-9-19(10-7-14)12-13-4-2-1-3-5-13/h1-5,8,11,14H,6-7,9-10,12H2,(H,17,18,20)
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n/an/a 5.11E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50513711
PNG
(CHEMBL4543815)
Show SMILES O=C(NCc1ccncc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H23N3O/c23-19(21-14-16-6-10-20-11-7-16)18-8-12-22(13-9-18)15-17-4-2-1-3-5-17/h1-7,10-11,18H,8-9,12-15H2,(H,21,23)
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n/an/a 5.82E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50513707
PNG
(CHEMBL4546728)
Show SMILES O=C(NCc1cccnc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H23N3O/c23-19(21-14-17-7-4-10-20-13-17)18-8-11-22(12-9-18)15-16-5-2-1-3-6-16/h1-7,10,13,18H,8-9,11-12,14-15H2,(H,21,23)
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n/an/a 5.89E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50513714
PNG
(CHEMBL4440310)
Show SMILES O=C(NCCN1CCCCC1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H31N3O/c24-20(21-11-16-22-12-5-2-6-13-22)19-9-14-23(15-10-19)17-18-7-3-1-4-8-18/h1,3-4,7-8,19H,2,5-6,9-17H2,(H,21,24)
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n/an/a 8.21E+4n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50513707
PNG
(CHEMBL4546728)
Show SMILES O=C(NCc1cccnc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H23N3O/c23-19(21-14-17-7-4-10-20-13-17)18-8-11-22(12-9-18)15-16-5-2-1-3-6-16/h1-7,10,13,18H,8-9,11-12,14-15H2,(H,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using Butyrylthiocholine iodide as substrate by Ellman's method


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50513705
PNG
(CHEMBL4515497)
Show SMILES O=C(NCCc1c[nH]cn1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C18H24N4O/c23-18(20-9-6-17-12-19-14-21-17)16-7-10-22(11-8-16)13-15-4-2-1-3-5-15/h1-5,12,14,16H,6-11,13H2,(H,19,21)(H,20,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50513712
PNG
(CHEMBL4465014)
Show SMILES COc1cc(CCNC(=O)C2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
Show InChI InChI=1S/C24H32N2O4/c1-28-21-15-19(16-22(29-2)23(21)30-3)9-12-25-24(27)20-10-13-26(14-11-20)17-18-7-5-4-6-8-18/h4-8,15-16,20H,9-14,17H2,1-3H3,(H,25,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50513706
PNG
(CHEMBL4564197)
Show SMILES O=C(NCc1ccco1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C18H22N2O2/c21-18(19-13-17-7-4-12-22-17)16-8-10-20(11-9-16)14-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2,(H,19,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using Butyrylthiocholine iodide as substrate by Ellman's method


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50513710
PNG
(CHEMBL4473728)
Show SMILES O=C(NCCN1CCOCC1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H29N3O2/c23-19(20-8-11-21-12-14-24-15-13-21)18-6-9-22(10-7-18)16-17-4-2-1-3-5-17/h1-5,18H,6-16H2,(H,20,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50513714
PNG
(CHEMBL4440310)
Show SMILES O=C(NCCN1CCCCC1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H31N3O/c24-20(21-11-16-22-12-5-2-6-13-22)19-9-14-23(15-10-19)17-18-7-3-1-4-8-18/h1,3-4,7-8,19H,2,5-6,9-17H2,(H,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using Butyrylthiocholine iodide as substrate by Ellman's method


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50513711
PNG
(CHEMBL4543815)
Show SMILES O=C(NCc1ccncc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H23N3O/c23-19(21-14-16-6-10-20-11-7-16)18-8-12-22(13-9-18)15-17-4-2-1-3-5-17/h1-7,10-11,18H,8-9,12-15H2,(H,21,23)
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University of Pretoria

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using Butyrylthiocholine iodide as substrate by Ellman's method


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50513712
PNG
(CHEMBL4465014)
Show SMILES COc1cc(CCNC(=O)C2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
Show InChI InChI=1S/C24H32N2O4/c1-28-21-15-19(16-22(29-2)23(21)30-3)9-12-25-24(27)20-10-13-26(14-11-20)17-18-7-5-4-6-8-18/h4-8,15-16,20H,9-14,17H2,1-3H3,(H,25,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using Butyrylthiocholine iodide as substrate by Ellman's method


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50513705
PNG
(CHEMBL4515497)
Show SMILES O=C(NCCc1c[nH]cn1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C18H24N4O/c23-18(20-9-6-17-12-19-14-21-17)16-7-10-22(11-8-16)13-15-4-2-1-3-5-15/h1-5,12,14,16H,6-11,13H2,(H,19,21)(H,20,23)
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UniChem
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using Butyrylthiocholine iodide as substrate by Ellman's method


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50513706
PNG
(CHEMBL4564197)
Show SMILES O=C(NCc1ccco1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C18H22N2O2/c21-18(19-13-17-7-4-12-22-17)16-8-10-20(11-9-16)14-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2,(H,19,21)
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PC cid
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UniChem
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


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


Eur J Med Chem 179: 680-693 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.088
BindingDB Entry DOI: 10.7270/Q2ZK5M1Z
More data for this
Ligand-Target Pair
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