BindingDB logo
myBDB logout

PubMed code 24941128

Compile data set for download or QSAR
Found 41 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))		BDBM50020730
PNG
(CHEMBL1469070)
Show SMILES O=C(COc1ccc2ccc(=O)oc2c1)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24N2O4/c26-22(16-28-20-8-6-18-7-9-23(27)29-21(18)14-20)24-19-10-12-25(13-11-19)15-17-4-2-1-3-5-17/h1-9,14,19H,10-13,15-16H2,(H,24,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.32E+3n/an/an/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate by Lineweavere-Burk plot

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020730
PNG
(CHEMBL1469070)
Show SMILES O=C(COc1ccc2ccc(=O)oc2c1)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24N2O4/c26-22(16-28-20-8-6-18-7-9-23(27)29-21(18)14-20)24-19-10-12-25(13-11-19)15-17-4-2-1-3-5-17/h1-9,14,19H,10-13,15-16H2,(H,24,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020733
PNG
(CHEMBL3286721)
Show SMILES O=C(CCCOc1ccc2ccc(=O)oc2c1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H24N2O4/c26-22(25-14-12-24(13-15-25)19-5-2-1-3-6-19)7-4-16-28-20-10-8-18-9-11-23(27)29-21(18)17-20/h1-3,5-6,8-11,17H,4,7,12-16H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.43E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020745
PNG
(CHEMBL3286944)
Show SMILES Cc1cc(=O)oc2cc(OCCCC(=O)N3CCN(CC3)c3ccc(Cl)c(Cl)c3)ccc12
Show InChI InChI=1S/C24H24Cl2N2O4/c1-16-13-24(30)32-22-15-18(5-6-19(16)22)31-12-2-3-23(29)28-10-8-27(9-11-28)17-4-7-20(25)21(26)14-17/h4-7,13-15H,2-3,8-12H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.38E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020741
PNG
(CHEMBL3286941)
Show SMILES Cc1cc(=O)oc2cc(OCCCC(=O)N3CCN(CC3)c3ccccc3O)ccc12
Show InChI InChI=1S/C24H26N2O5/c1-17-15-24(29)31-22-16-18(8-9-19(17)22)30-14-4-7-23(28)26-12-10-25(11-13-26)20-5-2-3-6-21(20)27/h2-3,5-6,8-9,15-16,27H,4,7,10-14H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020735
PNG
(CHEMBL3286723)
Show SMILES Fc1ccccc1N1CCN(CC1)C(=O)CCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C23H23FN2O4/c24-19-4-1-2-5-20(19)25-11-13-26(14-12-25)22(27)6-3-15-29-18-9-7-17-8-10-23(28)30-21(17)16-18/h1-2,4-5,7-10,16H,3,6,11-15H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020738
PNG
(CHEMBL3286726)
Show SMILES O=C(CCCOc1ccc2ccc(=O)oc2c1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H27NO4/c27-24(26-14-12-20(13-15-26)17-19-5-2-1-3-6-19)7-4-16-29-22-10-8-21-9-11-25(28)30-23(21)18-22/h1-3,5-6,8-11,18,20H,4,7,12-17H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020734
PNG
(CHEMBL3286722)
Show SMILES Oc1ccccc1N1CCN(CC1)C(=O)CCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C23H24N2O5/c26-20-5-2-1-4-19(20)24-11-13-25(14-12-24)22(27)6-3-15-29-18-9-7-17-8-10-23(28)30-21(17)16-18/h1-2,4-5,7-10,16,26H,3,6,11-15H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020731
PNG
(CHEMBL3286948)
Show SMILES O=C(COc1ccc2ccc(=O)oc2c1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H23NO4/c25-22(16-27-20-8-6-19-7-9-23(26)28-21(19)15-20)24-12-10-18(11-13-24)14-17-4-2-1-3-5-17/h1-9,15,18H,10-14,16H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9.80E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50020735
PNG
(CHEMBL3286723)
Show SMILES Fc1ccccc1N1CCN(CC1)C(=O)CCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C23H23FN2O4/c24-19-4-1-2-5-20(19)25-11-13-26(14-12-25)22(27)6-3-15-29-18-9-7-17-8-10-23(28)30-21(17)16-18/h1-2,4-5,7-10,16H,3,6,11-15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020742
PNG
(CHEMBL3286942)
Show SMILES Cc1cc(=O)oc2cc(OCCCC(=O)N3CCN(CC3)c3ccccc3F)ccc12
Show InChI InChI=1S/C24H25FN2O4/c1-17-15-24(29)31-22-16-18(8-9-19(17)22)30-14-4-7-23(28)27-12-10-26(11-13-27)21-6-3-2-5-20(21)25/h2-3,5-6,8-9,15-16H,4,7,10-14H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.64E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020740
PNG
(CHEMBL3286728)
Show SMILES Cc1cc(=O)oc2cc(OCCCC(=O)N3CCN(CC3)c3ccccc3)ccc12
Show InChI InChI=1S/C24H26N2O4/c1-18-16-24(28)30-22-17-20(9-10-21(18)22)29-15-5-8-23(27)26-13-11-25(12-14-26)19-6-3-2-4-7-19/h2-4,6-7,9-10,16-17H,5,8,11-15H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.08E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50020744
PNG
(CHEMBL3286943)
Show SMILES Cc1cc(=O)oc2cc(OCCCC(=O)N3CCN(CC3)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C24H25FN2O4/c1-17-15-24(29)31-22-16-20(8-9-21(17)22)30-14-2-3-23(28)27-12-10-26(11-13-27)19-6-4-18(25)5-7-19/h4-9,15-16H,2-3,10-14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020737
PNG
(CHEMBL3286725)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CC1)C(=O)CCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C23H22Cl2N2O4/c24-19-7-5-17(14-20(19)25)26-9-11-27(12-10-26)22(28)2-1-13-30-18-6-3-16-4-8-23(29)31-21(16)15-18/h3-8,14-15H,1-2,9-13H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020749
PNG
(CHEMBL3286947)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CC1)C(=O)COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C21H18Cl2N2O4/c22-17-5-3-15(11-18(17)23)24-7-9-25(10-8-24)20(26)13-28-16-4-1-14-2-6-21(27)29-19(14)12-16/h1-6,11-12H,7-10,13H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.68E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50020742
PNG
(CHEMBL3286942)
Show SMILES Cc1cc(=O)oc2cc(OCCCC(=O)N3CCN(CC3)c3ccccc3F)ccc12
Show InChI InChI=1S/C24H25FN2O4/c1-17-15-24(29)31-22-16-18(8-9-19(17)22)30-14-4-7-23(28)27-12-10-26(11-13-27)21-6-3-2-5-20(21)25/h2-3,5-6,8-9,15-16H,4,7,10-14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020747
PNG
(CHEMBL1618958)
Show SMILES O=C(COc1ccc2ccc(=O)oc2c1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H20N2O4/c24-20(23-12-10-22(11-13-23)17-4-2-1-3-5-17)15-26-18-8-6-16-7-9-21(25)27-19(16)14-18/h1-9,14H,10-13,15H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020748
PNG
(CHEMBL3286946)
Show SMILES Fc1ccccc1N1CCN(CC1)C(=O)COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C21H19FN2O4/c22-17-3-1-2-4-18(17)23-9-11-24(12-10-23)20(25)14-27-16-7-5-15-6-8-21(26)28-19(15)13-16/h1-8,13H,9-12,14H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.45E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020746
PNG
(CHEMBL3286945)
Show SMILES Cc1cc(=O)oc2cc(OCCCC(=O)N3CCC(O)(CC3)c3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C25H26BrNO5/c1-17-15-24(29)32-22-16-20(8-9-21(17)22)31-14-2-3-23(28)27-12-10-25(30,11-13-27)18-4-6-19(26)7-5-18/h4-9,15-16,30H,2-3,10-14H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.46E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020744
PNG
(CHEMBL3286943)
Show SMILES Cc1cc(=O)oc2cc(OCCCC(=O)N3CCN(CC3)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C24H25FN2O4/c1-17-15-24(29)31-22-16-20(8-9-21(17)22)30-14-2-3-23(28)27-12-10-26(11-13-27)19-6-4-18(25)5-7-19/h4-9,15-16H,2-3,10-14H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.16E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50020730
PNG
(CHEMBL1469070)
Show SMILES O=C(COc1ccc2ccc(=O)oc2c1)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24N2O4/c26-22(16-28-20-8-6-18-7-9-23(27)29-21(18)14-20)24-19-10-12-25(13-11-19)15-17-4-2-1-3-5-17/h1-9,14,19H,10-13,15-16H2,(H,24,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50020731
PNG
(CHEMBL3286948)
Show SMILES O=C(COc1ccc2ccc(=O)oc2c1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H23NO4/c25-22(16-27-20-8-6-19-7-9-23(26)28-21(19)15-20)24-12-10-18(11-13-24)14-17-4-2-1-3-5-17/h1-9,15,18H,10-14,16H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.60E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020736
PNG
(CHEMBL3286724)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)CCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C23H23FN2O4/c24-18-5-7-19(8-6-18)25-11-13-26(14-12-25)22(27)2-1-15-29-20-9-3-17-4-10-23(28)30-21(17)16-20/h3-10,16H,1-2,11-15H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50020747
PNG
(CHEMBL1618958)
Show SMILES O=C(COc1ccc2ccc(=O)oc2c1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H20N2O4/c24-20(23-12-10-22(11-13-23)17-4-2-1-3-5-17)15-26-18-8-6-16-7-9-21(25)27-19(16)14-18/h1-9,14H,10-13,15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50020740
PNG
(CHEMBL3286728)
Show SMILES Cc1cc(=O)oc2cc(OCCCC(=O)N3CCN(CC3)c3ccccc3)ccc12
Show InChI InChI=1S/C24H26N2O4/c1-18-16-24(28)30-22-17-20(9-10-21(18)22)29-15-5-8-23(27)26-13-11-25(12-14-26)19-6-3-2-4-7-19/h2-4,6-7,9-10,16-17H,5,8,11-15H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.80E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020739
PNG
(CHEMBL3286727)
Show SMILES OC1(CCN(CC1)C(=O)CCCOc1ccc2ccc(=O)oc2c1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H24BrNO5/c25-19-7-5-18(6-8-19)24(29)11-13-26(14-12-24)22(27)2-1-15-30-20-9-3-17-4-10-23(28)31-21(17)16-20/h3-10,16,29H,1-2,11-15H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.30E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020732
PNG
(CHEMBL3286949)
Show SMILES COc1ccc(CCNC(=O)COc2ccc3ccc(=O)oc3c2)cc1OC
Show InChI InChI=1S/C21H21NO6/c1-25-17-7-3-14(11-19(17)26-2)9-10-22-20(23)13-27-16-6-4-15-5-8-21(24)28-18(15)12-16/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.40E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50020736
PNG
(CHEMBL3286724)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)CCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C23H23FN2O4/c24-18-5-7-19(8-6-18)25-11-13-26(14-12-25)22(27)2-1-15-29-20-9-3-17-4-10-23(28)30-21(17)16-20/h3-10,16H,1-2,11-15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.50E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50020737
PNG
(CHEMBL3286725)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CC1)C(=O)CCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C23H22Cl2N2O4/c24-19-7-5-17(14-20(19)25)26-9-11-27(12-10-26)22(28)2-1-13-30-18-6-3-16-4-8-23(29)31-21(16)15-18/h3-8,14-15H,1-2,9-13H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50020748
PNG
(CHEMBL3286946)
Show SMILES Fc1ccccc1N1CCN(CC1)C(=O)COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C21H19FN2O4/c22-17-3-1-2-4-18(17)23-9-11-24(12-10-23)20(25)14-27-16-7-5-15-6-8-21(26)28-19(15)13-16/h1-8,13H,9-12,14H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.60E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50020749
PNG
(CHEMBL3286947)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CC1)C(=O)COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C21H18Cl2N2O4/c22-17-5-3-15(11-18(17)23)24-7-9-25(10-8-24)20(26)13-28-16-4-1-14-2-6-21(27)29-19(14)12-16/h1-6,11-12H,7-10,13H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50020733
PNG
(CHEMBL3286721)
Show SMILES O=C(CCCOc1ccc2ccc(=O)oc2c1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H24N2O4/c26-22(25-14-12-24(13-15-25)19-5-2-1-3-6-19)7-4-16-28-20-10-8-18-9-11-23(27)29-21(18)17-20/h1-3,5-6,8-11,17H,4,7,12-16H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50020746
PNG
(CHEMBL3286945)
Show SMILES Cc1cc(=O)oc2cc(OCCCC(=O)N3CCC(O)(CC3)c3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C25H26BrNO5/c1-17-15-24(29)32-22-16-20(8-9-21(17)22)31-14-2-3-23(28)27-12-10-25(30,11-13-27)18-4-6-19(26)7-5-18/h4-9,15-16,30H,2-3,10-14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.41E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50020732
PNG
(CHEMBL3286949)
Show SMILES COc1ccc(CCNC(=O)COc2ccc3ccc(=O)oc3c2)cc1OC
Show InChI InChI=1S/C21H21NO6/c1-25-17-7-3-14(11-19(17)26-2)9-10-22-20(23)13-27-16-6-4-15-5-8-21(24)28-18(15)12-16/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.63E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50020739
PNG
(CHEMBL3286727)
Show SMILES OC1(CCN(CC1)C(=O)CCCOc1ccc2ccc(=O)oc2c1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H24BrNO5/c25-19-7-5-18(6-8-19)24(29)11-13-26(14-12-24)22(27)2-1-15-30-20-9-3-17-4-10-23(28)31-21(17)16-20/h3-10,16,29H,1-2,11-15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.80E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50020741
PNG
(CHEMBL3286941)
Show SMILES Cc1cc(=O)oc2cc(OCCCC(=O)N3CCN(CC3)c3ccccc3O)ccc12
Show InChI InChI=1S/C24H26N2O5/c1-17-15-24(29)31-22-16-18(8-9-19(17)22)30-14-4-7-23(28)26-12-10-25(11-13-26)20-5-2-3-6-21(20)27/h2-3,5-6,8-9,15-16,27H,4,7,10-14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.84E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50020745
PNG
(CHEMBL3286944)
Show SMILES Cc1cc(=O)oc2cc(OCCCC(=O)N3CCN(CC3)c3ccc(Cl)c(Cl)c3)ccc12
Show InChI InChI=1S/C24H24Cl2N2O4/c1-16-13-24(30)32-22-15-18(5-6-19(16)22)31-12-2-3-23(29)28-10-8-27(9-11-28)17-4-7-20(25)21(26)14-17/h4-7,13-15H,2-3,8-12H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.50E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50020734
PNG
(CHEMBL3286722)
Show SMILES Oc1ccccc1N1CCN(CC1)C(=O)CCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C23H24N2O5/c26-20-5-2-1-4-19(20)24-11-13-25(14-12-24)22(27)6-3-15-29-18-9-7-17-8-10-23(28)30-21(17)16-18/h1-2,4-5,7-10,16,26H,3,6,11-15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.80E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50020738
PNG
(CHEMBL3286726)
Show SMILES O=C(CCCOc1ccc2ccc(=O)oc2c1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H27NO4/c27-24(26-14-12-20(13-15-26)17-19-5-2-1-3-6-19)7-4-16-29-22-10-8-21-9-11-25(28)30-23(21)18-22/h1-3,5-6,8-11,18,20H,4,7,12-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.87E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%