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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'alptüzün' and Initial = 'v'   
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
Cholinesterase


(Equus caballus (Horse))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 9.80n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
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 75n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50041517
PNG
(4-[(2,6-dichloro-benzyloxyimino)-methyl]-1-(3-phen...)
Show SMILES Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCCc2ccccc2)cc1
Show InChI InChI=1S/C22H21Cl2N2O/c23-21-9-4-10-22(24)20(21)17-27-25-16-19-11-14-26(15-12-19)13-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-12,14-16H,5,8,13,17H2/q+1/b25-16+
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n/an/a 180n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method


Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50307921
PNG
((E,E)-1,3-bis[4-[[(2,6-dichlorobenzyloxyl)imino]me...)
Show SMILES Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCC[n+]2ccc(\C=N\OCc3c(Cl)cccc3Cl)cc2)cc1
Show InChI InChI=1S/C29H26Cl4N4O2/c30-26-4-1-5-27(31)24(26)20-38-34-18-22-8-14-36(15-9-22)12-3-13-37-16-10-23(11-17-37)19-35-39-21-25-28(32)6-2-7-29(25)33/h1-2,4-11,14-19H,3,12-13,20-21H2/q+2/b34-18+,35-19+
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n/an/a 340n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method


Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438825
PNG
(CHEMBL2413741)
Show SMILES CC(C)N(CCOc1ccc(cc1)-c1nc2ccc(Cl)cc2[nH]1)C(C)C
Show InChI InChI=1S/C21H26ClN3O/c1-14(2)25(15(3)4)11-12-26-18-8-5-16(6-9-18)21-23-19-10-7-17(22)13-20(19)24-21/h5-10,13-15H,11-12H2,1-4H3,(H,23,24)
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n/an/a 580n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438843
PNG
(CHEMBL2413743)
Show SMILES Clc1ccc2nc([nH]c2c1)-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C20H22ClN3O/c21-16-6-9-18-19(14-16)23-20(22-18)15-4-7-17(8-5-15)25-13-12-24-10-2-1-3-11-24/h4-9,14H,1-3,10-13H2,(H,22,23)
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n/an/a 610n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438830
PNG
(CHEMBL2413736)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C21H25N3O/c1-16-5-10-19-20(15-16)23-21(22-19)17-6-8-18(9-7-17)25-14-13-24-11-3-2-4-12-24/h5-10,15H,2-4,11-14H2,1H3,(H,22,23)
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n/an/a 840n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438836
PNG
(CHEMBL2413560)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H23N3O/c1-4-12-23(13-5-1)14-15-24-17-10-8-16(9-11-17)20-21-18-6-2-3-7-19(18)22-20/h2-3,6-11H,1,4-5,12-15H2,(H,21,22)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438838
PNG
(CHEMBL2413558)
Show SMILES CC(C)N(CCOc1ccc(cc1)-c1nc2ccccc2[nH]1)C(C)C
Show InChI InChI=1S/C21H27N3O/c1-15(2)24(16(3)4)13-14-25-18-11-9-17(10-12-18)21-22-19-7-5-6-8-20(19)23-21/h5-12,15-16H,13-14H2,1-4H3,(H,22,23)
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n/an/a 1.19E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438831
PNG
(CHEMBL2413735)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C20H23N3O/c1-15-4-9-18-19(14-15)22-20(21-18)16-5-7-17(8-6-16)24-13-12-23-10-2-3-11-23/h4-9,14H,2-3,10-13H2,1H3,(H,21,22)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50438830
PNG
(CHEMBL2413736)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C21H25N3O/c1-16-5-10-19-20(15-16)23-21(22-19)17-6-8-18(9-7-17)25-14-13-24-11-3-2-4-12-24/h5-10,15H,2-4,11-14H2,1H3,(H,22,23)
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n/an/a 1.37E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50307921
PNG
((E,E)-1,3-bis[4-[[(2,6-dichlorobenzyloxyl)imino]me...)
Show SMILES Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCC[n+]2ccc(\C=N\OCc3c(Cl)cccc3Cl)cc2)cc1
Show InChI InChI=1S/C29H26Cl4N4O2/c30-26-4-1-5-27(31)24(26)20-38-34-18-22-8-14-36(15-9-22)12-3-13-37-16-10-23(11-17-37)19-35-39-21-25-28(32)6-2-7-29(25)33/h1-2,4-11,14-19H,3,12-13,20-21H2/q+2/b34-18+,35-19+
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n/an/a 1.83E+3n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by modified Ellman's method


Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438832
PNG
(CHEMBL2413734)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1nc2ccc(C)cc2[nH]1
Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)12-13-24-17-9-7-16(8-10-17)20-21-18-11-6-15(3)14-19(18)22-20/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,22)
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n/an/a 2.34E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50438836
PNG
(CHEMBL2413560)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H23N3O/c1-4-12-23(13-5-1)14-15-24-17-10-8-16(9-11-17)20-21-18-6-2-3-7-19(18)22-20/h2-3,6-11H,1,4-5,12-15H2,(H,21,22)
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n/an/a 2.45E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438827
PNG
(CHEMBL2413739)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C17H18ClN3O/c1-21(2)9-10-22-14-6-3-12(4-7-14)17-19-15-8-5-13(18)11-16(15)20-17/h3-8,11H,9-10H2,1-2H3,(H,19,20)
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n/an/a 2.68E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50041517
PNG
(4-[(2,6-dichloro-benzyloxyimino)-methyl]-1-(3-phen...)
Show SMILES Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCCc2ccccc2)cc1
Show InChI InChI=1S/C22H21Cl2N2O/c23-21-9-4-10-22(24)20(21)17-27-25-16-19-11-14-26(15-12-19)13-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-12,14-16H,5,8,13,17H2/q+1/b25-16+
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n/an/a 2.78E+3n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by modified Ellman's method


Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438837
PNG
(CHEMBL2413559)
Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H21N3O/c1-2-6-18-17(5-1)20-19(21-18)15-7-9-16(10-8-15)23-14-13-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2,(H,20,21)
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n/an/a 3.05E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50438831
PNG
(CHEMBL2413735)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C20H23N3O/c1-15-4-9-18-19(14-15)22-20(21-18)16-5-7-17(8-6-16)24-13-12-23-10-2-3-11-23/h4-9,14H,2-3,10-13H2,1H3,(H,21,22)
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n/an/a 3.24E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438844
PNG
(CHEMBL2413742)
Show SMILES Clc1ccc2nc([nH]c2c1)-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C19H20ClN3O/c20-15-5-8-17-18(13-15)22-19(21-17)14-3-6-16(7-4-14)24-12-11-23-9-1-2-10-23/h3-8,13H,1-2,9-12H2,(H,21,22)
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n/an/a 3.24E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50438844
PNG
(CHEMBL2413742)
Show SMILES Clc1ccc2nc([nH]c2c1)-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C19H20ClN3O/c20-15-5-8-17-18(13-15)22-19(21-17)14-3-6-16(7-4-14)24-12-11-23-9-1-2-10-23/h3-8,13H,1-2,9-12H2,(H,21,22)
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n/an/a 3.42E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438826
PNG
(CHEMBL2413740)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C19H22ClN3O/c1-3-23(4-2)11-12-24-16-8-5-14(6-9-16)19-21-17-10-7-15(20)13-18(17)22-19/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,22)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50438838
PNG
(CHEMBL2413558)
Show SMILES CC(C)N(CCOc1ccc(cc1)-c1nc2ccccc2[nH]1)C(C)C
Show InChI InChI=1S/C21H27N3O/c1-15(2)24(16(3)4)13-14-25-18-11-9-17(10-12-18)21-22-19-7-5-6-8-20(19)23-21/h5-12,15-16H,13-14H2,1-4H3,(H,22,23)
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n/an/a 4.11E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50438841
PNG
(CHEMBL377740)
Show SMILES Oc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C13H10N2O/c16-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)15-13/h1-8,16H,(H,14,15)
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n/an/a 4.59E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50438834
PNG
(CHEMBL2413732)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C14H12N2O/c1-9-2-7-12-13(8-9)16-14(15-12)10-3-5-11(17)6-4-10/h2-8,17H,1H3,(H,15,16)
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n/an/a 4.67E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50438839
PNG
(CHEMBL2413745)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H23N3O/c1-3-22(4-2)13-14-23-16-11-9-15(10-12-16)19-20-17-7-5-6-8-18(17)21-19/h5-12H,3-4,13-14H2,1-2H3,(H,20,21)
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n/an/a 5.06E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438833
PNG
(CHEMBL2413733)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc2ccc(C)cc2[nH]1
Show InChI InChI=1S/C18H21N3O/c1-13-4-9-16-17(12-13)20-18(19-16)14-5-7-15(8-6-14)22-11-10-21(2)3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
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n/an/a 5.06E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50307927
PNG
(4-((2,6-dichlorobenzylidene)hydrazono)-1-(3-phenyl...)
Show SMILES Clc1cccc(Cl)c1\C=N\N=c1ccn(CCCc2ccccc2)cc1 |(14.77,-30.22,;13.43,-30.99,;12.1,-30.22,;10.77,-31,;10.77,-32.54,;12.11,-33.3,;12.12,-34.84,;13.43,-32.53,;14.77,-33.3,;16.1,-32.53,;17.43,-33.29,;18.77,-32.52,;20.1,-33.29,;21.43,-32.52,;21.43,-30.98,;22.77,-30.22,;24.1,-30.99,;25.44,-30.22,;26.77,-31,;26.75,-32.54,;28.09,-33.31,;29.42,-32.54,;29.42,-30.99,;28.09,-30.23,;20.1,-30.21,;18.76,-30.98,)|
Show InChI InChI=1S/C21H19Cl2N3/c22-20-9-4-10-21(23)19(20)16-24-25-18-11-14-26(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-12,14-16H,5,8,13H2/b24-16+
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n/an/a 5.66E+3n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method


Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50438840
PNG
(CHEMBL2413746)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H19N3O/c1-20(2)11-12-21-14-9-7-13(8-10-14)17-18-15-5-3-4-6-16(15)19-17/h3-10H,11-12H2,1-2H3,(H,18,19)
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n/an/a 5.87E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50307928
PNG
(1-(2,6-dichlorobenzyl)-4-((2,6-dichlorobenzylidene...)
Show SMILES Clc1cccc(Cl)c1Cn1ccc(cc1)=N\N=C\c1c(Cl)cccc1Cl |(6.37,-36.83,;6.37,-38.37,;7.71,-39.13,;7.71,-40.68,;6.37,-41.45,;5.04,-40.67,;3.7,-41.44,;5.05,-39.14,;3.72,-38.36,;2.39,-39.13,;2.38,-40.67,;1.05,-41.44,;-.28,-40.67,;-.29,-39.13,;1.05,-38.36,;-1.61,-41.44,;-2.95,-40.67,;-4.28,-41.44,;-5.62,-40.68,;-5.61,-39.14,;-4.28,-38.37,;-6.95,-38.37,;-8.28,-39.14,;-8.28,-40.69,;-6.94,-41.45,;-6.93,-42.99,)|
Show InChI InChI=1S/C19H13Cl4N3/c20-16-3-1-4-17(21)14(16)11-24-25-13-7-9-26(10-8-13)12-15-18(22)5-2-6-19(15)23/h1-11H,12H2/b24-11+
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n/an/a 6.40E+3n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method


Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50438832
PNG
(CHEMBL2413734)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1nc2ccc(C)cc2[nH]1
Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)12-13-24-17-9-7-16(8-10-17)20-21-18-11-6-15(3)14-19(18)22-20/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,22)
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n/an/a 6.48E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50438825
PNG
(CHEMBL2413741)
Show SMILES CC(C)N(CCOc1ccc(cc1)-c1nc2ccc(Cl)cc2[nH]1)C(C)C
Show InChI InChI=1S/C21H26ClN3O/c1-14(2)25(15(3)4)11-12-26-18-8-5-16(6-9-18)21-23-19-10-7-17(22)13-20(19)24-21/h5-10,13-15H,11-12H2,1-4H3,(H,23,24)
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n/an/a 7.44E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50307925
PNG
(1-benzyl-4-((2,6-dichlorobenzylidene)hydrazono)-1,...)
Show SMILES Clc1cccc(Cl)c1\C=N\N=c1ccn(Cc2ccccc2)cc1 |(9.22,-23.07,;7.88,-23.84,;6.55,-23.07,;5.21,-23.84,;5.22,-25.39,;6.56,-26.15,;6.57,-27.69,;7.88,-25.38,;9.22,-26.15,;10.55,-25.37,;11.89,-26.14,;13.22,-25.37,;14.55,-26.14,;15.88,-25.37,;15.89,-23.83,;17.22,-23.06,;18.56,-23.84,;18.54,-25.38,;19.87,-26.15,;21.21,-25.38,;21.21,-23.83,;19.88,-23.07,;14.55,-23.06,;13.21,-23.83,)|
Show InChI InChI=1S/C19H15Cl2N3/c20-18-7-4-8-19(21)17(18)13-22-23-16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-13H,14H2/b22-13+
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n/an/a 8.00E+3n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by modified Ellman's method


Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50438828
PNG
(CHEMBL2413738)
Show SMILES Oc1ccc(cc1)-c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C13H9ClN2O/c14-9-3-6-11-12(7-9)16-13(15-11)8-1-4-10(17)5-2-8/h1-7,17H,(H,15,16)
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n/an/a 8.52E+3n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50307926
PNG
(4-((2,6-dichlorobenzylidene)hydrazono)-1-phenethyl...)
Show SMILES Clc1cccc(Cl)c1\C=N\N=c1ccn(CCc2ccccc2)cc1 |(-4.88,-30.85,;-6.21,-31.62,;-7.55,-30.85,;-8.88,-31.62,;-8.87,-33.17,;-7.54,-33.93,;-7.53,-35.47,;-6.22,-33.16,;-4.88,-33.92,;-3.55,-33.15,;-2.21,-33.92,;-.88,-33.15,;.45,-33.92,;1.78,-33.15,;1.79,-31.61,;3.12,-30.84,;4.45,-31.62,;5.79,-30.85,;7.11,-31.63,;8.45,-30.86,;8.45,-29.32,;7.11,-28.55,;5.78,-29.32,;.45,-30.84,;-.89,-31.61,)|
Show InChI InChI=1S/C20H17Cl2N3/c21-19-7-4-8-20(22)18(19)15-23-24-17-10-13-25(14-11-17)12-9-16-5-2-1-3-6-16/h1-8,10-11,13-15H,9,12H2/b23-15+
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n/an/a 9.00E+3n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by modified Ellman's method


Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50307927
PNG
(4-((2,6-dichlorobenzylidene)hydrazono)-1-(3-phenyl...)
Show SMILES Clc1cccc(Cl)c1\C=N\N=c1ccn(CCCc2ccccc2)cc1 |(14.77,-30.22,;13.43,-30.99,;12.1,-30.22,;10.77,-31,;10.77,-32.54,;12.11,-33.3,;12.12,-34.84,;13.43,-32.53,;14.77,-33.3,;16.1,-32.53,;17.43,-33.29,;18.77,-32.52,;20.1,-33.29,;21.43,-32.52,;21.43,-30.98,;22.77,-30.22,;24.1,-30.99,;25.44,-30.22,;26.77,-31,;26.75,-32.54,;28.09,-33.31,;29.42,-32.54,;29.42,-30.99,;28.09,-30.23,;20.1,-30.21,;18.76,-30.98,)|
Show InChI InChI=1S/C21H19Cl2N3/c22-20-9-4-10-21(23)19(20)16-24-25-18-11-14-26(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-12,14-16H,5,8,13H2/b24-16+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by modified Ellman's method


Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50307924
PNG
(4-((2,6-dichlorobenzylidene)hydrazono)-1-methyl-1,...)
Show SMILES Cn1ccc(cc1)=N\N=C\c1c(Cl)cccc1Cl |(3.18,-22.22,;1.84,-22.99,;1.84,-24.53,;.51,-25.3,;-.83,-24.53,;-.83,-22.99,;.51,-22.22,;-2.16,-25.3,;-3.49,-24.53,;-4.83,-25.3,;-6.16,-24.53,;-6.16,-23,;-4.83,-22.23,;-7.49,-22.23,;-8.83,-23,;-8.82,-24.55,;-7.48,-25.31,;-7.48,-26.85,)|
Show InChI InChI=1S/C13H11Cl2N3/c1-18-7-5-10(6-8-18)17-16-9-11-12(14)3-2-4-13(11)15/h2-9H,1H3/b16-9+
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n/an/a 1.10E+4n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by modified Ellman's method


Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438842
PNG
(CHEMBL2413744)
Show SMILES Clc1ccc2nc([nH]c2c1)-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C19H20ClN3O2/c20-15-3-6-17-18(13-15)22-19(21-17)14-1-4-16(5-2-14)25-12-9-23-7-10-24-11-8-23/h1-6,13H,7-12H2,(H,21,22)
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n/an/a 1.11E+4n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231232
PNG
(1-(2-phenylpropyl)-4-oxopiperidine O-(2,6-Dichloro...)
Show SMILES Clc1cccc(Cl)c1-[#6]-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1
Show InChI InChI=1S/C21H24Cl2N2O/c22-20-9-4-10-21(23)19(20)16-26-24-18-11-14-25(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10H,5,8,11-16H2
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n/an/a 1.21E+4n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method


Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438840
PNG
(CHEMBL2413746)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H19N3O/c1-20(2)11-12-21-14-9-7-13(8-10-14)17-18-15-5-3-4-6-16(15)19-17/h3-10H,11-12H2,1-2H3,(H,18,19)
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n/an/a 1.31E+4n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438828
PNG
(CHEMBL2413738)
Show SMILES Oc1ccc(cc1)-c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C13H9ClN2O/c14-9-3-6-11-12(7-9)16-13(15-11)8-1-4-10(17)5-2-8/h1-7,17H,(H,15,16)
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n/an/a 1.46E+4n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438839
PNG
(CHEMBL2413745)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H23N3O/c1-3-22(4-2)13-14-23-16-11-9-15(10-12-16)19-20-17-7-5-6-8-18(17)21-19/h5-12H,3-4,13-14H2,1-2H3,(H,20,21)
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n/an/a 1.56E+4n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438834
PNG
(CHEMBL2413732)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C14H12N2O/c1-9-2-7-12-13(8-9)16-14(15-12)10-3-5-11(17)6-4-10/h2-8,17H,1H3,(H,15,16)
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n/an/a 1.59E+4n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438841
PNG
(CHEMBL377740)
Show SMILES Oc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C13H10N2O/c16-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)15-13/h1-8,16H,(H,14,15)
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n/an/a 1.73E+4n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50307925
PNG
(1-benzyl-4-((2,6-dichlorobenzylidene)hydrazono)-1,...)
Show SMILES Clc1cccc(Cl)c1\C=N\N=c1ccn(Cc2ccccc2)cc1 |(9.22,-23.07,;7.88,-23.84,;6.55,-23.07,;5.21,-23.84,;5.22,-25.39,;6.56,-26.15,;6.57,-27.69,;7.88,-25.38,;9.22,-26.15,;10.55,-25.37,;11.89,-26.14,;13.22,-25.37,;14.55,-26.14,;15.88,-25.37,;15.89,-23.83,;17.22,-23.06,;18.56,-23.84,;18.54,-25.38,;19.87,-26.15,;21.21,-25.38,;21.21,-23.83,;19.88,-23.07,;14.55,-23.06,;13.21,-23.83,)|
Show InChI InChI=1S/C19H15Cl2N3/c20-18-7-4-8-19(21)17(18)13-22-23-16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-13H,14H2/b22-13+
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n/an/a 1.74E+4n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method


Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438835
PNG
(CHEMBL2413561)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H21N3O2/c1-2-4-18-17(3-1)20-19(21-18)15-5-7-16(8-6-15)24-14-11-22-9-12-23-13-10-22/h1-8H,9-14H2,(H,20,21)
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n/an/a 1.88E+4n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50231234
PNG
(1-(3-phenylpropyl)piperidine-4-carbaldehyde O-2,6-...)
Show SMILES Clc1cccc(Cl)c1CO\N=C\C1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C22H26Cl2N2O/c23-21-9-4-10-22(24)20(21)17-27-25-16-19-11-14-26(15-12-19)13-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16,19H,5,8,11-15,17H2/b25-16+
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n/an/a 1.91E+4n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method


Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50438837
PNG
(CHEMBL2413559)
Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H21N3O/c1-2-6-18-17(5-1)20-19(21-18)15-7-9-16(10-8-15)23-14-13-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2,(H,20,21)
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n/an/a 2.31E+4n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50307926
PNG
(4-((2,6-dichlorobenzylidene)hydrazono)-1-phenethyl...)
Show SMILES Clc1cccc(Cl)c1\C=N\N=c1ccn(CCc2ccccc2)cc1 |(-4.88,-30.85,;-6.21,-31.62,;-7.55,-30.85,;-8.88,-31.62,;-8.87,-33.17,;-7.54,-33.93,;-7.53,-35.47,;-6.22,-33.16,;-4.88,-33.92,;-3.55,-33.15,;-2.21,-33.92,;-.88,-33.15,;.45,-33.92,;1.78,-33.15,;1.79,-31.61,;3.12,-30.84,;4.45,-31.62,;5.79,-30.85,;7.11,-31.63,;8.45,-30.86,;8.45,-29.32,;7.11,-28.55,;5.78,-29.32,;.45,-30.84,;-.89,-31.61,)|
Show InChI InChI=1S/C20H17Cl2N3/c21-19-7-4-8-20(22)18(19)15-23-24-17-10-13-25(14-11-17)12-9-16-5-2-1-3-6-16/h1-8,10-11,13-15H,9,12H2/b23-15+
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n/an/a 5.67E+4n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method


Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50438833
PNG
(CHEMBL2413733)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc2ccc(C)cc2[nH]1
Show InChI InChI=1S/C18H21N3O/c1-13-4-9-16-17(12-13)20-18(19-16)14-5-7-15(8-6-14)22-11-10-21(2)3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50438829
PNG
(CHEMBL2413737)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C20H23N3O2/c1-15-2-7-18-19(14-15)22-20(21-18)16-3-5-17(6-4-16)25-13-10-23-8-11-24-12-9-23/h2-7,14H,8-13H2,1H3,(H,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ege University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method


Bioorg Med Chem 21: 4928-37 (2013)


Article DOI: 10.1016/j.bmc.2013.06.065
BindingDB Entry DOI: 10.7270/Q21837XT
More data for this
Ligand-Target Pair
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