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PubMed code 22000936

Compile data set for download or QSAR
Found 33 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))
BDBM50357943
PNG
(CHEMBL1916768)
Show SMILES Nc1c2CCCCc2nc2n(c(cc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H21N3/c24-22-18-13-7-8-14-20(18)25-23-19(22)15-21(16-9-3-1-4-10-16)26(23)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2,(H2,24,25)
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621n/an/an/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Electrophorus electricus AChE assessed as hydrolysis of acetylthiocholine by Lineweaver-Burk plot analysis


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 5.20n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


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


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 27n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman'...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50357943
PNG
(CHEMBL1916768)
Show SMILES Nc1c2CCCCc2nc2n(c(cc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H21N3/c24-22-18-13-7-8-14-20(18)25-23-19(22)15-21(16-9-3-1-4-10-16)26(23)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2,(H2,24,25)
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n/an/a 74n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


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


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50357943
PNG
(CHEMBL1916768)
Show SMILES Nc1c2CCCCc2nc2n(c(cc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H21N3/c24-22-18-13-7-8-14-20(18)25-23-19(22)15-21(16-9-3-1-4-10-16)26(23)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2,(H2,24,25)
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n/an/a 610n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman'...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50357944
PNG
(CHEMBL1916769)
Show SMILES Nc1c2CCCCCc2nc2n(c(cc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H23N3/c25-23-19-14-8-3-9-15-21(19)26-24-20(23)16-22(17-10-4-1-5-11-17)27(24)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H2,25,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman's method in ...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50357945
PNG
(CHEMBL1916770)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)c3CCCCc3nc2o1
Show InChI InChI=1S/C18H18N2O/c1-11-6-8-12(9-7-11)16-10-14-17(19)13-4-2-3-5-15(13)20-18(14)21-16/h6-10H,2-5H2,1H3,(H2,19,20)
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


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


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50357941
PNG
(CHEMBL1916766)
Show SMILES Nc1c2CCCCc2nc2oc(cc12)-c1ccccc1
Show InChI InChI=1S/C17H16N2O/c18-16-12-8-4-5-9-14(12)19-17-13(16)10-15(20-17)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H2,18,19)
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


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


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50357941
PNG
(CHEMBL1916766)
Show SMILES Nc1c2CCCCc2nc2oc(cc12)-c1ccccc1
Show InChI InChI=1S/C17H16N2O/c18-16-12-8-4-5-9-14(12)19-17-13(16)10-15(20-17)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H2,18,19)
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n/an/a 3.78E+3n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine as substrate by Ellman's assay


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50357942
PNG
(CHEMBL1916767)
Show SMILES Nc1c2CCCCCc2nc2oc(cc12)-c1ccccc1
Show InChI InChI=1S/C18H18N2O/c19-17-13-9-5-2-6-10-15(13)20-18-14(17)11-16(21-18)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H2,19,20)
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


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


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50357943
PNG
(CHEMBL1916768)
Show SMILES Nc1c2CCCCc2nc2n(c(cc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H21N3/c24-22-18-13-7-8-14-20(18)25-23-19(22)15-21(16-9-3-1-4-10-16)26(23)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2,(H2,24,25)
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n/an/a 8.57E+3n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine as substrate by Ellman's assay


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50357946
PNG
(CHEMBL1916926)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)c3CCCCCc3nc2o1
Show InChI InChI=1S/C19H20N2O/c1-12-7-9-13(10-8-12)17-11-15-18(20)14-5-3-2-4-6-16(14)21-19(15)22-17/h7-11H,2-6H2,1H3,(H2,20,21)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman's method in ...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50357950
PNG
(CHEMBL1916930)
Show SMILES Nc1c2CCCCc2nc2n(c(cc12)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H20ClN3/c24-16-12-10-15(11-13-16)21-14-19-22(25)18-8-4-5-9-20(18)26-23(19)27(21)17-6-2-1-3-7-17/h1-3,6-7,10-14H,4-5,8-9H2,(H2,25,26)
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman's method in ...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50357947
PNG
(CHEMBL1916927)
Show SMILES Nc1c2CCCCc2nc2oc(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O/c18-11-7-5-10(6-8-11)15-9-13-16(19)12-3-1-2-4-14(12)20-17(13)21-15/h5-9H,1-4H2,(H2,19,20)
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


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


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50357950
PNG
(CHEMBL1916930)
Show SMILES Nc1c2CCCCc2nc2n(c(cc12)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H20ClN3/c24-16-12-10-15(11-13-16)21-14-19-22(25)18-8-4-5-9-20(18)26-23(19)27(21)17-6-2-1-3-7-17/h1-3,6-7,10-14H,4-5,8-9H2,(H2,25,26)
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman'...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50357947
PNG
(CHEMBL1916927)
Show SMILES Nc1c2CCCCc2nc2oc(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O/c18-11-7-5-10(6-8-11)15-9-13-16(19)12-3-1-2-4-14(12)20-17(13)21-15/h5-9H,1-4H2,(H2,19,20)
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n/an/a 2.61E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine as substrate by Ellman's assay


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50357946
PNG
(CHEMBL1916926)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)c3CCCCCc3nc2o1
Show InChI InChI=1S/C19H20N2O/c1-12-7-9-13(10-8-12)17-11-15-18(20)14-5-3-2-4-6-16(14)21-19(15)22-17/h7-11H,2-6H2,1H3,(H2,20,21)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman'...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50357944
PNG
(CHEMBL1916769)
Show SMILES Nc1c2CCCCCc2nc2n(c(cc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H23N3/c25-23-19-14-8-3-9-15-21(19)26-24-20(23)16-22(17-10-4-1-5-11-17)27(24)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H2,25,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman'...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50357949
PNG
(CHEMBL1916929)
Show SMILES Nc1c2CCCCc2nc2oc(c(C#N)c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClN3O/c19-11-7-5-10(6-8-11)17-13(9-20)15-16(21)12-3-1-2-4-14(12)22-18(15)23-17/h5-8H,1-4H2,(H2,21,22)
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n/an/a 3.24E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman's method in ...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50357948
PNG
(CHEMBL1916928)
Show SMILES Nc1c2CCCCCc2nc2oc(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN2O/c19-12-8-6-11(7-9-12)16-10-14-17(20)13-4-2-1-3-5-15(13)21-18(14)22-16/h6-10H,1-5H2,(H2,20,21)
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n/an/a 4.30E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman's method in ...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50357943
PNG
(CHEMBL1916768)
Show SMILES Nc1c2CCCCc2nc2n(c(cc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H21N3/c24-22-18-13-7-8-14-20(18)25-23-19(22)15-21(16-9-3-1-4-10-16)26(23)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2,(H2,24,25)
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n/an/a 4.55E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine as substrate by Ellman's assay


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50357948
PNG
(CHEMBL1916928)
Show SMILES Nc1c2CCCCCc2nc2oc(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN2O/c19-12-8-6-11(7-9-12)16-10-14-17(20)13-4-2-1-3-5-15(13)21-18(14)22-16/h6-10H,1-5H2,(H2,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman'...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50357945
PNG
(CHEMBL1916770)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)c3CCCCc3nc2o1
Show InChI InChI=1S/C18H18N2O/c1-11-6-8-12(9-7-11)16-10-14-17(19)13-4-2-3-5-15(13)20-18(14)21-16/h6-10H,2-5H2,1H3,(H2,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine as substrate by Ellman's assay


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50357949
PNG
(CHEMBL1916929)
Show SMILES Nc1c2CCCCc2nc2oc(c(C#N)c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClN3O/c19-11-7-5-10(6-8-11)17-13(9-20)15-16(21)12-3-1-2-4-14(12)22-18(15)23-17/h5-8H,1-4H2,(H2,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman'...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50357942
PNG
(CHEMBL1916767)
Show SMILES Nc1c2CCCCCc2nc2oc(cc12)-c1ccccc1
Show InChI InChI=1S/C18H18N2O/c19-17-13-9-5-2-6-10-15(13)20-18-14(17)11-16(21-18)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H2,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman'...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50357949
PNG
(CHEMBL1916929)
Show SMILES Nc1c2CCCCc2nc2oc(c(C#N)c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClN3O/c19-11-7-5-10(6-8-11)17-13(9-20)15-16(21)12-3-1-2-4-14(12)22-18(15)23-17/h5-8H,1-4H2,(H2,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine as substrate by Ellman's assay in presence of bovine serum albumin


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50357947
PNG
(CHEMBL1916927)
Show SMILES Nc1c2CCCCc2nc2oc(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O/c18-11-7-5-10(6-8-11)15-9-13-16(19)12-3-1-2-4-14(12)20-17(13)21-15/h5-9H,1-4H2,(H2,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine as substrate by Ellman's assay


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50357949
PNG
(CHEMBL1916929)
Show SMILES Nc1c2CCCCc2nc2oc(c(C#N)c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClN3O/c19-11-7-5-10(6-8-11)17-13(9-20)15-16(21)12-3-1-2-4-14(12)22-18(15)23-17/h5-8H,1-4H2,(H2,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine as substrate by Ellman's assay in presence of bovine serum albumin


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50357941
PNG
(CHEMBL1916766)
Show SMILES Nc1c2CCCCc2nc2oc(cc12)-c1ccccc1
Show InChI InChI=1S/C17H16N2O/c18-16-12-8-4-5-9-14(12)19-17-13(16)10-15(20-17)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H2,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman'...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50357945
PNG
(CHEMBL1916770)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)c3CCCCc3nc2o1
Show InChI InChI=1S/C18H18N2O/c1-11-6-8-12(9-7-11)16-10-14-17(19)13-4-2-3-5-15(13)20-18(14)21-16/h6-10H,2-5H2,1H3,(H2,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman'...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50357941
PNG
(CHEMBL1916766)
Show SMILES Nc1c2CCCCc2nc2oc(cc12)-c1ccccc1
Show InChI InChI=1S/C17H16N2O/c18-16-12-8-4-5-9-14(12)19-17-13(16)10-15(20-17)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H2,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine as substrate by Ellman's assay


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50357947
PNG
(CHEMBL1916927)
Show SMILES Nc1c2CCCCc2nc2oc(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O/c18-11-7-5-10(6-8-11)15-9-13-16(19)12-3-1-2-4-14(12)20-17(13)21-15/h5-9H,1-4H2,(H2,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman'...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50357945
PNG
(CHEMBL1916770)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)c3CCCCc3nc2o1
Show InChI InChI=1S/C18H18N2O/c1-11-6-8-12(9-7-11)16-10-14-17(19)13-4-2-3-5-15(13)20-18(14)21-16/h6-10H,2-5H2,1H3,(H2,19,20)
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n/an/a 1.19E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine as substrate by Ellman's assay


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%