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PubMed code 23644208

Compile data set for download or QSAR
Found 40 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))		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 14n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435589
PNG
(CHEMBL2393508)
Show SMILES O=C(COc1cc(=O)oc2ccccc12)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24N2O4/c26-22(16-28-21-14-23(27)29-20-9-5-4-8-19(20)21)24-18-10-12-25(13-11-18)15-17-6-2-1-3-7-17/h1-9,14,18H,10-13,15-16H2,(H,24,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435598
PNG
(CHEMBL2393500)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)COc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C21H19FN2O4/c22-15-5-7-16(8-6-15)23-9-11-24(12-10-23)20(25)14-27-19-13-21(26)28-18-4-2-1-3-17(18)19/h1-8,13H,9-12,14H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435600
PNG
(CHEMBL2393498)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CC1)C(=O)COc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C21H18Cl2N2O4/c22-16-6-5-14(11-17(16)23)24-7-9-25(10-8-24)20(26)13-28-19-12-21(27)29-18-4-2-1-3-15(18)19/h1-6,11-12H,7-10,13H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435588
PNG
(CHEMBL2393509)
Show SMILES O=C(CCCOc1cc(=O)oc2ccccc12)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N2O4/c28-24(26-20-12-14-27(15-13-20)18-19-7-2-1-3-8-19)11-6-16-30-23-17-25(29)31-22-10-5-4-9-21(22)23/h1-5,7-10,17,20H,6,11-16,18H2,(H,26,28)
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n/an/a 2.37E+3n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435601
PNG
(CHEMBL2393497)
Show SMILES O=C(COc1cc(=O)oc2ccccc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H20N2O4/c24-20(23-12-10-22(11-13-23)16-6-2-1-3-7-16)15-26-19-14-21(25)27-18-9-5-4-8-17(18)19/h1-9,14H,10-13,15H2
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435591
PNG
(CHEMBL2393507)
Show SMILES O=C(COc1cc(=O)oc2ccccc12)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H23NO4/c25-22(16-27-21-15-23(26)28-20-9-5-4-8-19(20)21)24-12-10-18(11-13-24)14-17-6-2-1-3-7-17/h1-9,15,18H,10-14,16H2
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
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 5.38E+3n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435590
PNG
(CHEMBL2390982)
Show SMILES O=C(CCCOc1cc(=O)oc2ccccc12)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H27NO4/c27-24(26-14-12-20(13-15-26)17-19-7-2-1-3-8-19)11-6-16-29-23-18-25(28)30-22-10-5-4-9-21(22)23/h1-5,7-10,18,20H,6,11-17H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435599
PNG
(CHEMBL2393499)
Show SMILES Fc1ccccc1N1CCN(CC1)C(=O)COc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C21H19FN2O4/c22-16-6-2-3-7-17(16)23-9-11-24(12-10-23)20(25)14-27-19-13-21(26)28-18-8-4-1-5-15(18)19/h1-8,13H,9-12,14H2
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n/an/a 1.21E+4n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435597
PNG
(CHEMBL2393501)
Show SMILES Oc1ccccc1N1CCN(CC1)C(=O)COc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C21H20N2O5/c24-17-7-3-2-6-16(17)22-9-11-23(12-10-22)20(25)14-27-19-13-21(26)28-18-8-4-1-5-15(18)19/h1-8,13,24H,9-12,14H2
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n/an/a 2.12E+4n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435588
PNG
(CHEMBL2393509)
Show SMILES O=C(CCCOc1cc(=O)oc2ccccc12)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N2O4/c28-24(26-20-12-14-27(15-13-20)18-19-7-2-1-3-8-19)11-6-16-30-23-17-25(29)31-22-10-5-4-9-21(22)23/h1-5,7-10,17,20H,6,11-16,18H2,(H,26,28)
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n/an/a 4.10E+4n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435589
PNG
(CHEMBL2393508)
Show SMILES O=C(COc1cc(=O)oc2ccccc12)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24N2O4/c26-22(16-28-21-14-23(27)29-20-9-5-4-8-19(20)21)24-18-10-12-25(13-11-18)15-17-6-2-1-3-7-17/h1-9,14,18H,10-13,15-16H2,(H,24,26)
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435591
PNG
(CHEMBL2393507)
Show SMILES O=C(COc1cc(=O)oc2ccccc12)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H23NO4/c25-22(16-27-21-15-23(26)28-20-9-5-4-8-19(20)21)24-12-10-18(11-13-24)14-17-6-2-1-3-7-17/h1-9,15,18H,10-14,16H2
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435598
PNG
(CHEMBL2393500)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)COc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C21H19FN2O4/c22-15-5-7-16(8-6-15)23-9-11-24(12-10-23)20(25)14-27-19-13-21(26)28-18-4-2-1-3-17(18)19/h1-8,13H,9-12,14H2
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n/an/a 7.60E+4n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435590
PNG
(CHEMBL2390982)
Show SMILES O=C(CCCOc1cc(=O)oc2ccccc12)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H27NO4/c27-24(26-14-12-20(13-15-26)17-19-7-2-1-3-8-19)11-6-16-29-23-18-25(28)30-22-10-5-4-9-21(22)23/h1-5,7-10,18,20H,6,11-17H2
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n/an/a 7.60E+4n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435600
PNG
(CHEMBL2393498)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CC1)C(=O)COc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C21H18Cl2N2O4/c22-16-6-5-14(11-17(16)23)24-7-9-25(10-8-24)20(26)13-28-19-12-21(27)29-18-4-2-1-3-15(18)19/h1-6,11-12H,7-10,13H2
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n/an/a 8.90E+4n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435599
PNG
(CHEMBL2393499)
Show SMILES Fc1ccccc1N1CCN(CC1)C(=O)COc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C21H19FN2O4/c22-16-6-2-3-7-17(16)23-9-11-24(12-10-23)20(25)14-27-19-13-21(26)28-18-8-4-1-5-15(18)19/h1-8,13H,9-12,14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435586
PNG
(CHEMBL2393511)
Show SMILES OC1(CCN(CC1)C(=O)COc1cc(=O)oc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClNO5/c23-16-7-5-15(6-8-16)22(27)9-11-24(12-10-22)20(25)14-28-19-13-21(26)29-18-4-2-1-3-17(18)19/h1-8,13,27H,9-12,14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435596
PNG
(CHEMBL2393502)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)CCCOc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C23H23FN2O4/c24-17-7-9-18(10-8-17)25-11-13-26(14-12-25)22(27)6-3-15-29-21-16-23(28)30-20-5-2-1-4-19(20)21/h1-2,4-5,7-10,16H,3,6,11-15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435594
PNG
(CHEMBL2393504)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CC1)C(=O)CCCOc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C23H22Cl2N2O4/c24-18-8-7-16(14-19(18)25)26-9-11-27(12-10-26)22(28)6-3-13-30-21-15-23(29)31-20-5-2-1-4-17(20)21/h1-2,4-5,7-8,14-15H,3,6,9-13H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435595
PNG
(CHEMBL2393503)
Show SMILES O=C(CCCOc1cc(=O)oc2ccccc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H24N2O4/c26-22(25-14-12-24(13-15-25)18-7-2-1-3-8-18)11-6-16-28-21-17-23(27)29-20-10-5-4-9-19(20)21/h1-5,7-10,17H,6,11-16H2
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University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435592
PNG
(CHEMBL2393506)
Show SMILES Oc1ccccc1N1CCN(CC1)C(=O)CCCOc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C23H24N2O5/c26-19-8-3-2-7-18(19)24-11-13-25(14-12-24)22(27)10-5-15-29-21-16-23(28)30-20-9-4-1-6-17(20)21/h1-4,6-9,16,26H,5,10-15H2
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University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435602
PNG
(CHEMBL2390990)
Show SMILES COc1ccc(CCNC(=O)CCCOc2cc(=O)oc3ccccc23)cc1OC
Show InChI InChI=1S/C23H25NO6/c1-27-19-10-9-16(14-21(19)28-2)11-12-24-22(25)8-5-13-29-20-15-23(26)30-18-7-4-3-6-17(18)20/h3-4,6-7,9-10,14-15H,5,8,11-13H2,1-2H3,(H,24,25)
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University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435595
PNG
(CHEMBL2393503)
Show SMILES O=C(CCCOc1cc(=O)oc2ccccc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H24N2O4/c26-22(25-14-12-24(13-15-25)18-7-2-1-3-8-18)11-6-16-28-21-17-23(27)29-20-10-5-4-9-19(20)21/h1-5,7-10,17H,6,11-16H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435592
PNG
(CHEMBL2393506)
Show SMILES Oc1ccccc1N1CCN(CC1)C(=O)CCCOc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C23H24N2O5/c26-19-8-3-2-7-18(19)24-11-13-25(14-12-24)22(27)10-5-15-29-21-16-23(28)30-20-9-4-1-6-17(20)21/h1-4,6-9,16,26H,5,10-15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435587
PNG
(CHEMBL2393510)
Show SMILES OC1(CCN(CC1)C(=O)COc1cc(=O)oc2ccccc12)c1ccc(Br)cc1
Show InChI InChI=1S/C22H20BrNO5/c23-16-7-5-15(6-8-16)22(27)9-11-24(12-10-22)20(25)14-28-19-13-21(26)29-18-4-2-1-3-17(18)19/h1-8,13,27H,9-12,14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435593
PNG
(CHEMBL2393505)
Show SMILES Fc1ccccc1N1CCN(CC1)C(=O)CCCOc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C23H23FN2O4/c24-18-7-2-3-8-19(18)25-11-13-26(14-12-25)22(27)10-5-15-29-21-16-23(28)30-20-9-4-1-6-17(20)21/h1-4,6-9,16H,5,10-15H2
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University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435585
PNG
(CHEMBL2393512)
Show SMILES OC1(CCN(CC1)C(=O)CCCOc1cc(=O)oc2ccccc12)c1ccc(Br)cc1
Show InChI InChI=1S/C24H24BrNO5/c25-18-9-7-17(8-10-18)24(29)11-13-26(14-12-24)22(27)6-3-15-30-21-16-23(28)31-20-5-2-1-4-19(20)21/h1-2,4-5,7-10,16,29H,3,6,11-15H2
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University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435603
PNG
(CHEMBL2393513)
Show SMILES OC1(CCN(CC1)C(=O)CCCOc1cc(=O)oc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClNO5/c25-18-9-7-17(8-10-18)24(29)11-13-26(14-12-24)22(27)6-3-15-30-21-16-23(28)31-20-5-2-1-4-19(20)21/h1-2,4-5,7-10,16,29H,3,6,11-15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435596
PNG
(CHEMBL2393502)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)CCCOc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C23H23FN2O4/c24-17-7-9-18(10-8-17)25-11-13-26(14-12-25)22(27)6-3-15-29-21-16-23(28)30-20-5-2-1-4-19(20)21/h1-2,4-5,7-10,16H,3,6,11-15H2
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University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435586
PNG
(CHEMBL2393511)
Show SMILES OC1(CCN(CC1)C(=O)COc1cc(=O)oc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClNO5/c23-16-7-5-15(6-8-16)22(27)9-11-24(12-10-22)20(25)14-28-19-13-21(26)29-18-4-2-1-3-17(18)19/h1-8,13,27H,9-12,14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435587
PNG
(CHEMBL2393510)
Show SMILES OC1(CCN(CC1)C(=O)COc1cc(=O)oc2ccccc12)c1ccc(Br)cc1
Show InChI InChI=1S/C22H20BrNO5/c23-16-7-5-15(6-8-16)22(27)9-11-24(12-10-22)20(25)14-28-19-13-21(26)29-18-4-2-1-3-17(18)19/h1-8,13,27H,9-12,14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435585
PNG
(CHEMBL2393512)
Show SMILES OC1(CCN(CC1)C(=O)CCCOc1cc(=O)oc2ccccc12)c1ccc(Br)cc1
Show InChI InChI=1S/C24H24BrNO5/c25-18-9-7-17(8-10-18)24(29)11-13-26(14-12-24)22(27)6-3-15-30-21-16-23(28)31-20-5-2-1-4-19(20)21/h1-2,4-5,7-10,16,29H,3,6,11-15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435602
PNG
(CHEMBL2390990)
Show SMILES COc1ccc(CCNC(=O)CCCOc2cc(=O)oc3ccccc23)cc1OC
Show InChI InChI=1S/C23H25NO6/c1-27-19-10-9-16(14-21(19)28-2)11-12-24-22(25)8-5-13-29-20-15-23(26)30-18-7-4-3-6-17(18)20/h3-4,6-7,9-10,14-15H,5,8,11-13H2,1-2H3,(H,24,25)
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University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435601
PNG
(CHEMBL2393497)
Show SMILES O=C(COc1cc(=O)oc2ccccc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H20N2O4/c24-20(23-12-10-22(11-13-23)16-6-2-1-3-7-16)15-26-19-14-21(25)27-18-9-5-4-8-17(18)19/h1-9,14H,10-13,15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435593
PNG
(CHEMBL2393505)
Show SMILES Fc1ccccc1N1CCN(CC1)C(=O)CCCOc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C23H23FN2O4/c24-18-7-2-3-8-19(18)25-11-13-26(14-12-25)22(27)10-5-15-29-21-16-23(28)30-20-9-4-1-6-17(20)21/h1-4,6-9,16H,5,10-15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435603
PNG
(CHEMBL2393513)
Show SMILES OC1(CCN(CC1)C(=O)CCCOc1cc(=O)oc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClNO5/c25-18-9-7-17(8-10-18)24(29)11-13-26(14-12-24)22(27)6-3-15-30-21-16-23(28)31-20-5-2-1-4-19(20)21/h1-2,4-5,7-10,16,29H,3,6,11-15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435594
PNG
(CHEMBL2393504)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CC1)C(=O)CCCOc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C23H22Cl2N2O4/c24-18-8-7-16(14-19(18)25)26-9-11-27(12-10-26)22(28)6-3-13-30-21-15-23(29)31-20-5-2-1-4-17(20)21/h1-2,4-5,7-8,14-15H,3,6,9-13H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435597
PNG
(CHEMBL2393501)
Show SMILES Oc1ccccc1N1CCN(CC1)C(=O)COc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C21H20N2O5/c24-17-7-3-2-6-16(17)22-9-11-23(12-10-22)20(25)14-27-19-13-21(26)28-18-8-4-1-5-15(18)19/h1-8,13,24H,9-12,14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Zanjan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 64: 252-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.021
BindingDB Entry DOI: 10.7270/Q2ZG6TNV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%