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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50031064   
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))
BDBM50306339
PNG
(4-(2,4-Diisopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(...)
Show SMILES CC(C)c1ccc(C(=O)CC(N2CCOCC2)C(=O)Nc2ccccc2)c(c1)C(C)C
Show InChI InChI=1S/C26H34N2O3/c1-18(2)20-10-11-22(23(16-20)19(3)4)25(29)17-24(28-12-14-31-15-13-28)26(30)27-21-8-6-5-7-9-21/h5-11,16,18-19,24H,12-15,17H2,1-4H3,(H,27,30)
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3.18E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Lineweaver-Burk plot


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306337
PNG
(4-(2,4-Diisopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(...)
Show SMILES CC(C)c1ccc(C(=O)CC(C(=O)Nc2ccccc2)n2ccnc2)c(c1)C(C)C
Show InChI InChI=1S/C25H29N3O2/c1-17(2)19-10-11-21(22(14-19)18(3)4)24(29)15-23(28-13-12-26-16-28)25(30)27-20-8-6-5-7-9-20/h5-14,16-18,23H,15H2,1-4H3,(H,27,30)
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4.66E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Lineweaver-burk plot


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
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 6.95n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
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 43.0n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306337
PNG
(4-(2,4-Diisopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(...)
Show SMILES CC(C)c1ccc(C(=O)CC(C(=O)Nc2ccccc2)n2ccnc2)c(c1)C(C)C
Show InChI InChI=1S/C25H29N3O2/c1-17(2)19-10-11-21(22(14-19)18(3)4)24(29)15-23(28-13-12-26-16-28)25(30)27-20-8-6-5-7-9-20/h5-14,16-18,23H,15H2,1-4H3,(H,27,30)
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n/an/a 1.55E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50306339
PNG
(4-(2,4-Diisopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(...)
Show SMILES CC(C)c1ccc(C(=O)CC(N2CCOCC2)C(=O)Nc2ccccc2)c(c1)C(C)C
Show InChI InChI=1S/C26H34N2O3/c1-18(2)20-10-11-22(23(16-20)19(3)4)25(29)17-24(28-12-14-31-15-13-28)26(30)27-21-8-6-5-7-9-21/h5-11,16,18-19,24H,12-15,17H2,1-4H3,(H,27,30)
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n/an/a 2.48E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306342
PNG
(4-(4-Isopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-pi...)
Show SMILES CC(C)c1ccc(cc1)C(=O)CC(N1CCCCC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H30N2O2/c1-18(2)19-11-13-20(14-12-19)23(27)17-22(26-15-7-4-8-16-26)24(28)25-21-9-5-3-6-10-21/h3,5-6,9-14,18,22H,4,7-8,15-17H2,1-2H3,(H,25,28)
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n/an/a 3.47E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306352
PNG
(4-(2,4-Diisopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(...)
Show SMILES CC(C)c1ccc(C(=O)CC(N2CCCCC2)C(=O)Nc2ccccc2)c(c1)C(C)C
Show InChI InChI=1S/C27H36N2O2/c1-19(2)21-13-14-23(24(17-21)20(3)4)26(30)18-25(29-15-9-6-10-16-29)27(31)28-22-11-7-5-8-12-22/h5,7-8,11-14,17,19-20,25H,6,9-10,15-16,18H2,1-4H3,(H,28,31)
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n/an/a 4.86E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306351
PNG
(4-(5,6,7,8-Tetrahydro-2-naphthalenyl)-4-oxo-N-phen...)
Show SMILES O=C(Nc1ccccc1)C(CC(=O)c1ccc2CCCCc2c1)N1CCCCC1
Show InChI InChI=1S/C25H30N2O2/c28-24(21-14-13-19-9-5-6-10-20(19)17-21)18-23(27-15-7-2-8-16-27)25(29)26-22-11-3-1-4-12-22/h1,3-4,11-14,17,23H,2,5-10,15-16,18H2,(H,26,29)
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n/an/a 5.64E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306345
PNG
(4-(5,6,7,8-Tetrahydro-2-naphthalenyl)-4-oxo-N-phen...)
Show SMILES O=C(Nc1ccccc1)C(CC(=O)c1ccc2CCCCc2c1)n1ccnc1
Show InChI InChI=1S/C23H23N3O2/c27-22(19-11-10-17-6-4-5-7-18(17)14-19)15-21(26-13-12-24-16-26)23(28)25-20-8-2-1-3-9-20/h1-3,8-14,16,21H,4-7,15H2,(H,25,28)
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n/an/a 6.34E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50306342
PNG
(4-(4-Isopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-pi...)
Show SMILES CC(C)c1ccc(cc1)C(=O)CC(N1CCCCC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H30N2O2/c1-18(2)19-11-13-20(14-12-19)23(27)17-22(26-15-7-4-8-16-26)24(28)25-21-9-5-3-6-10-21/h3,5-6,9-14,18,22H,4,7-8,15-17H2,1-2H3,(H,25,28)
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n/an/a 7.06E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306338
PNG
(4-(4-Metoxyphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-imida...)
Show SMILES COc1ccc(cc1)C(=O)CC(C(=O)Nc1ccccc1)n1ccnc1
Show InChI InChI=1S/C20H19N3O3/c1-26-17-9-7-15(8-10-17)19(24)13-18(23-12-11-21-14-23)20(25)22-16-5-3-2-4-6-16/h2-12,14,18H,13H2,1H3,(H,22,25)
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n/an/a 7.85E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306346
PNG
(4-(4-Isopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-im...)
Show SMILES CC(C)c1ccc(cc1)C(=O)CC(C(=O)Nc1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H23N3O2/c1-16(2)17-8-10-18(11-9-17)21(26)14-20(25-13-12-23-15-25)22(27)24-19-6-4-3-5-7-19/h3-13,15-16,20H,14H2,1-2H3,(H,24,27)
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n/an/a 8.22E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306339
PNG
(4-(2,4-Diisopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(...)
Show SMILES CC(C)c1ccc(C(=O)CC(N2CCOCC2)C(=O)Nc2ccccc2)c(c1)C(C)C
Show InChI InChI=1S/C26H34N2O3/c1-18(2)20-10-11-22(23(16-20)19(3)4)25(29)17-24(28-12-14-31-15-13-28)26(30)27-21-8-6-5-7-9-21/h5-11,16,18-19,24H,12-15,17H2,1-4H3,(H,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306336
PNG
(4-(2,5-Dimethylphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-p...)
Show SMILES Cc1ccc(C)c(c1)C(=O)CC(N1CCCCC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H28N2O2/c1-17-11-12-18(2)20(15-17)22(26)16-21(25-13-7-4-8-14-25)23(27)24-19-9-5-3-6-10-19/h3,5-6,9-12,15,21H,4,7-8,13-14,16H2,1-2H3,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306343
PNG
(4-(4-Metoxyphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-piper...)
Show SMILES COc1ccc(cc1)C(=O)CC(N1CCCCC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H26N2O3/c1-27-19-12-10-17(11-13-19)21(25)16-20(24-14-6-3-7-15-24)22(26)23-18-8-4-2-5-9-18/h2,4-5,8-13,20H,3,6-7,14-16H2,1H3,(H,23,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50306336
PNG
(4-(2,5-Dimethylphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-p...)
Show SMILES Cc1ccc(C)c(c1)C(=O)CC(N1CCCCC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H28N2O2/c1-17-11-12-18(2)20(15-17)22(26)16-21(25-13-7-4-8-14-25)23(27)24-19-9-5-3-6-10-19/h3,5-6,9-12,15,21H,4,7-8,13-14,16H2,1-2H3,(H,24,27)
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n/an/a 1.72E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50306337
PNG
(4-(2,4-Diisopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(...)
Show SMILES CC(C)c1ccc(C(=O)CC(C(=O)Nc2ccccc2)n2ccnc2)c(c1)C(C)C
Show InChI InChI=1S/C25H29N3O2/c1-17(2)19-10-11-21(22(14-19)18(3)4)24(29)15-23(28-13-12-26-16-28)25(30)27-20-8-6-5-7-9-20/h5-14,16-18,23H,15H2,1-4H3,(H,27,30)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306347
PNG
(4-(2,5-Dimethylphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-i...)
Show SMILES Cc1ccc(C)c(c1)C(=O)CC(C(=O)Nc1ccccc1)n1ccnc1
Show InChI InChI=1S/C21H21N3O2/c1-15-8-9-16(2)18(12-15)20(25)13-19(24-11-10-22-14-24)21(26)23-17-6-4-3-5-7-17/h3-12,14,19H,13H2,1-2H3,(H,23,26)
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n/an/a 2.79E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306348
PNG
(4-(5,6,7,8-Tetrahydro-2-naphthalenyl)-4-oxo-N-phen...)
Show SMILES O=C(Nc1ccccc1)C(CC(=O)c1ccc2CCCCc2c1)N1CCOCC1
Show InChI InChI=1S/C24H28N2O3/c27-23(20-11-10-18-6-4-5-7-19(18)16-20)17-22(26-12-14-29-15-13-26)24(28)25-21-8-2-1-3-9-21/h1-3,8-11,16,22H,4-7,12-15,17H2,(H,25,28)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50306338
PNG
(4-(4-Metoxyphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-imida...)
Show SMILES COc1ccc(cc1)C(=O)CC(C(=O)Nc1ccccc1)n1ccnc1
Show InChI InChI=1S/C20H19N3O3/c1-26-17-9-7-15(8-10-17)19(24)13-18(23-12-11-21-14-23)20(25)22-16-5-3-2-4-6-16/h2-12,14,18H,13H2,1H3,(H,22,25)
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n/an/a 3.04E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50306341
PNG
(4-(2,5-Dimethylphenyl)-4-oxo-N-phenyl-2-(R,S)-(4-m...)
Show SMILES Cc1ccc(C)c(c1)C(=O)CC(N1CCOCC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H26N2O3/c1-16-8-9-17(2)19(14-16)21(25)15-20(24-10-12-27-13-11-24)22(26)23-18-6-4-3-5-7-18/h3-9,14,20H,10-13,15H2,1-2H3,(H,23,26)
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n/an/a 3.41E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50306343
PNG
(4-(4-Metoxyphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-piper...)
Show SMILES COc1ccc(cc1)C(=O)CC(N1CCCCC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H26N2O3/c1-27-19-12-10-17(11-13-19)21(25)16-20(24-14-6-3-7-15-24)22(26)23-18-8-4-2-5-9-18/h2,4-5,8-13,20H,3,6-7,14-16H2,1H3,(H,23,26)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306344
PNG
(CHEMBL610494 | Phenyl-4-oxo-N-phenyl-2-(R,S)-(1-pi...)
Show SMILES O=C(Nc1ccccc1)C(CC(=O)c1ccccc1)N1CCCCC1
Show InChI InChI=1S/C21H24N2O2/c24-20(17-10-4-1-5-11-17)16-19(23-14-8-3-9-15-23)21(25)22-18-12-6-2-7-13-18/h1-2,4-7,10-13,19H,3,8-9,14-16H2,(H,22,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50306340
PNG
(4-(4-Metoxyphenyl)-4-oxo-N-phenyl-2-(R,S)-(4-morph...)
Show SMILES COc1ccc(cc1)C(=O)CC(N1CCOCC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C21H24N2O4/c1-26-18-9-7-16(8-10-18)20(24)15-19(23-11-13-27-14-12-23)21(25)22-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,22,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306350
PNG
(4-Phenyl-4-oxo-N-phenyl-2-(R,S)-(4-morpholinyl)but...)
Show SMILES O=C(Nc1ccccc1)C(CC(=O)c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C20H22N2O3/c23-19(16-7-3-1-4-8-16)15-18(22-11-13-25-14-12-22)20(24)21-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306341
PNG
(4-(2,5-Dimethylphenyl)-4-oxo-N-phenyl-2-(R,S)-(4-m...)
Show SMILES Cc1ccc(C)c(c1)C(=O)CC(N1CCOCC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H26N2O3/c1-16-8-9-17(2)19(14-16)21(25)15-20(24-10-12-27-13-11-24)22(26)23-18-6-4-3-5-7-18/h3-9,14,20H,10-13,15H2,1-2H3,(H,23,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306349
PNG
(4-(4-Isopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(4-mo...)
Show SMILES CC(C)c1ccc(cc1)C(=O)CC(N1CCOCC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H28N2O3/c1-17(2)18-8-10-19(11-9-18)22(26)16-21(25-12-14-28-15-13-25)23(27)24-20-6-4-3-5-7-20/h3-11,17,21H,12-16H2,1-2H3,(H,24,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50423742
PNG
(CHEMBL602450)
Show SMILES CN1CCC=C(C1)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C12H14ClN/c1-14-8-2-3-11(9-14)10-4-6-12(13)7-5-10/h3-7H,2,8-9H2,1H3
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n/an/a 8.05E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50423741
PNG
(CHEMBL589998)
Show SMILES CN1CCC=C(C1)c1ccc(Oc2ccccc2)cc1 |c:4|
Show InChI InChI=1S/C18H19NO/c1-19-13-5-6-16(14-19)15-9-11-18(12-10-15)20-17-7-3-2-4-8-17/h2-4,6-12H,5,13-14H2,1H3
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n/an/a 1.23E+6n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50423740
PNG
(CHEMBL602245)
Show SMILES COc1ccc(cc1)C1=CCCN(C)C1 |t:9|
Show InChI InChI=1S/C13H17NO/c1-14-9-3-4-12(10-14)11-5-7-13(15-2)8-6-11/h4-8H,3,9-10H2,1-2H3
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n/an/a 1.23E+6n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306337
PNG
(4-(2,4-Diisopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(...)
Show SMILES CC(C)c1ccc(C(=O)CC(C(=O)Nc2ccccc2)n2ccnc2)c(c1)C(C)C
Show InChI InChI=1S/C25H29N3O2/c1-17(2)19-10-11-21(22(14-19)18(3)4)24(29)15-23(28-13-12-26-16-28)25(30)27-20-8-6-5-7-9-20/h5-14,16-18,23H,15H2,1-4H3,(H,27,30)
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n/an/a 1.55E+6n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50423748
PNG
(CHEMBL598711)
Show SMILES CCCCc1cc(C2=NOC(C2)C#N)c(Cl)[nH]1 |t:7|
Show InChI InChI=1S/C12H14ClN3O/c1-2-3-4-8-5-10(12(13)15-8)11-6-9(7-14)17-16-11/h5,9,15H,2-4,6H2,1H3
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n/an/a 2.00E+6n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306342
PNG
(4-(4-Isopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-pi...)
Show SMILES CC(C)c1ccc(cc1)C(=O)CC(N1CCCCC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H30N2O2/c1-18(2)19-11-13-20(14-12-19)23(27)17-22(26-15-7-4-8-16-26)24(28)25-21-9-5-3-6-10-21/h3,5-6,9-14,18,22H,4,7-8,15-17H2,1-2H3,(H,25,28)
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n/an/a 3.47E+6n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306352
PNG
(4-(2,4-Diisopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(...)
Show SMILES CC(C)c1ccc(C(=O)CC(N2CCCCC2)C(=O)Nc2ccccc2)c(c1)C(C)C
Show InChI InChI=1S/C27H36N2O2/c1-19(2)21-13-14-23(24(17-21)20(3)4)26(30)18-25(29-15-9-6-10-16-29)27(31)28-22-11-7-5-8-12-22/h5,7-8,11-14,17,19-20,25H,6,9-10,15-16,18H2,1-4H3,(H,28,31)
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n/an/a 4.86E+6n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306351
PNG
(4-(5,6,7,8-Tetrahydro-2-naphthalenyl)-4-oxo-N-phen...)
Show SMILES O=C(Nc1ccccc1)C(CC(=O)c1ccc2CCCCc2c1)N1CCCCC1
Show InChI InChI=1S/C25H30N2O2/c28-24(21-14-13-19-9-5-6-10-20(19)17-21)18-23(27-15-7-2-8-16-27)25(29)26-22-11-3-1-4-12-22/h1,3-4,11-14,17,23H,2,5-10,15-16,18H2,(H,26,29)
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n/an/a 5.64E+6n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306345
PNG
(4-(5,6,7,8-Tetrahydro-2-naphthalenyl)-4-oxo-N-phen...)
Show SMILES O=C(Nc1ccccc1)C(CC(=O)c1ccc2CCCCc2c1)n1ccnc1
Show InChI InChI=1S/C23H23N3O2/c27-22(19-11-10-17-6-4-5-7-18(17)14-19)15-21(26-13-12-24-16-26)23(28)25-20-8-2-1-3-9-20/h1-3,8-14,16,21H,4-7,15H2,(H,25,28)
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n/an/a 6.34E+6n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306338
PNG
(4-(4-Metoxyphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-imida...)
Show SMILES COc1ccc(cc1)C(=O)CC(C(=O)Nc1ccccc1)n1ccnc1
Show InChI InChI=1S/C20H19N3O3/c1-26-17-9-7-15(8-10-17)19(24)13-18(23-12-11-21-14-23)20(25)22-16-5-3-2-4-6-16/h2-12,14,18H,13H2,1H3,(H,22,25)
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n/an/a 7.85E+6n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306346
PNG
(4-(4-Isopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-im...)
Show SMILES CC(C)c1ccc(cc1)C(=O)CC(C(=O)Nc1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H23N3O2/c1-16(2)17-8-10-18(11-9-17)21(26)14-20(25-13-12-23-15-25)22(27)24-19-6-4-3-5-7-19/h3-13,15-16,20H,14H2,1-2H3,(H,24,27)
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n/an/a 8.22E+6n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50423744
PNG
(CHEMBL592364)
Show SMILES CCCCc1cc(C2=NOC(CO)C2)c(Cl)[nH]1 |t:7|
Show InChI InChI=1S/C12H17ClN2O2/c1-2-3-4-8-5-10(12(13)14-8)11-6-9(7-16)17-15-11/h5,9,14,16H,2-4,6-7H2,1H3
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n/an/a 2.10E+7n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50306347
PNG
(4-(2,5-Dimethylphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-i...)
Show SMILES Cc1ccc(C)c(c1)C(=O)CC(C(=O)Nc1ccccc1)n1ccnc1
Show InChI InChI=1S/C21H21N3O2/c1-15-8-9-16(2)18(12-15)20(25)13-19(24-11-10-22-14-24)21(26)23-17-6-4-3-5-7-17/h3-12,14,19H,13H2,1-2H3,(H,23,26)
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n/an/a 2.79E+7n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50423746
PNG
(CHEMBL597312)
Show SMILES CCCCc1cc(C2=NOC(C2)C(=O)OCC)c(Cl)[nH]1 |t:7|
Show InChI InChI=1S/C14H19ClN2O3/c1-3-5-6-9-7-10(13(15)16-9)11-8-12(20-17-11)14(18)19-4-2/h7,12,16H,3-6,8H2,1-2H3
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n/an/a 6.97E+7n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50423747
PNG
(CHEMBL598712)
Show SMILES CCCCc1cc(C2=NOC(C2)C(=O)Oc2ccccc2)c(Cl)[nH]1 |t:7|
Show InChI InChI=1S/C18H19ClN2O3/c1-2-3-7-12-10-14(17(19)20-12)15-11-16(24-21-15)18(22)23-13-8-5-4-6-9-13/h4-6,8-10,16,20H,2-3,7,11H2,1H3
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n/an/a 7.21E+7n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50423745
PNG
(CHEMBL599759)
Show SMILES CCCCc1cc(C2=NOC(CC(=O)OC)C2)c(Cl)[nH]1 |t:7|
Show InChI InChI=1S/C14H19ClN2O3/c1-3-4-5-9-6-11(14(15)16-9)12-7-10(20-17-12)8-13(18)19-2/h6,10,16H,3-5,7-8H2,1-2H3
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n/an/a 1.60E+8n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50423743
PNG
(CHEMBL598710)
Show SMILES CCCCc1cc(C2=NOC(C2)C(=O)OC)c(Cl)[nH]1 |t:7|
Show InChI InChI=1S/C13H17ClN2O3/c1-3-4-5-8-6-9(12(14)15-8)10-7-11(19-16-10)13(17)18-2/h6,11,15H,3-5,7H2,1-2H3
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n/an/a 2.41E+8n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair