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Compile Data Set for Download or QSAR

Found 77 hits from Anadolu University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200768
PNG
(CHEMBL3893120)
Show SMILES COc1cc2nc(NC(=O)CN3CCN(CCN(C)C)CC3)sc2cc1OC
Show InChI InChI=1S/C19H29N5O3S/c1-22(2)5-6-23-7-9-24(10-8-23)13-18(25)21-19-20-14-11-15(26-3)16(27-4)12-17(14)28-19/h11-12H,5-10,13H2,1-4H3,(H,20,21,25)
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110n/an/an/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Li...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200752
PNG
(CHEMBL3947863)
Show SMILES COc1cc2nc(NC(=O)CN3CCN(CCCN(C)C)CC3)sc2cc1OC
Show InChI InChI=1S/C20H31N5O3S/c1-23(2)6-5-7-24-8-10-25(11-9-24)14-19(26)22-20-21-15-12-16(27-3)17(28-4)13-18(15)29-20/h12-13H,5-11,14H2,1-4H3,(H,21,22,26)
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250n/an/an/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Li...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 0.700n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038399
PNG
(CHEMBL3361124)
Show SMILES Brc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C18H11BrN2O/c19-15-6-7-17-16(9-15)14(11-21-17)5-8-18(22)13-3-1-12(10-20)2-4-13/h1-9,11,21H/b8-5+
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n/an/a 8.10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038394
PNG
(CHEMBL3361119)
Show SMILES COc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)S(C)(=O)=O)c2c1
Show InChI InChI=1S/C19H17NO4S/c1-24-15-6-9-18-17(11-15)14(12-20-18)5-10-19(21)13-3-7-16(8-4-13)25(2,22)23/h3-12,20H,1-2H3/b10-5+
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n/an/a 8.60n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50038399
PNG
(CHEMBL3361124)
Show SMILES Brc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C18H11BrN2O/c19-15-6-7-17-16(9-15)14(11-21-17)5-8-18(22)13-3-1-12(10-20)2-4-13/h1-9,11,21H/b8-5+
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n/an/a 9.5n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038401
PNG
(CHEMBL3361126)
Show SMILES Cn1cc(\C=C\C(=O)c2ccc(cc2)C#N)c2ccccc12
Show InChI InChI=1S/C19H14N2O/c1-21-13-16(17-4-2-3-5-18(17)21)10-11-19(22)15-8-6-14(12-20)7-9-15/h2-11,13H,1H3/b11-10+
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n/an/a 9.70n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038400
PNG
(CHEMBL3361125)
Show SMILES Cn1cc(\C=C\C(=O)c2ccc(cc2)S(C)(=O)=O)c2ccccc12
Show InChI InChI=1S/C19H17NO3S/c1-20-13-15(17-5-3-4-6-18(17)20)9-12-19(21)14-7-10-16(11-8-14)24(2,22)23/h3-13H,1-2H3/b12-9+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50038394
PNG
(CHEMBL3361119)
Show SMILES COc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)S(C)(=O)=O)c2c1
Show InChI InChI=1S/C19H17NO4S/c1-24-15-6-9-18-17(11-15)14(12-20-18)5-10-19(21)13-3-7-16(8-4-13)25(2,22)23/h3-12,20H,1-2H3/b10-5+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50038395
PNG
(CHEMBL3361120)
Show SMILES COc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C19H14N2O2/c1-23-16-7-8-18-17(10-16)15(12-21-18)6-9-19(22)14-4-2-13(11-20)3-5-14/h2-10,12,21H,1H3/b9-6+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50038396
PNG
(CHEMBL3361121)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C18H14ClNO3S/c1-24(22,23)15-6-2-12(3-7-15)18(21)9-4-13-11-20-17-8-5-14(19)10-16(13)17/h2-11,20H,1H3/b9-4+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50038397
PNG
(CHEMBL3361122)
Show SMILES Clc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C18H11ClN2O/c19-15-6-7-17-16(9-15)14(11-21-17)5-8-18(22)13-3-1-12(10-20)2-4-13/h1-9,11,21H/b8-5+
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Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50038398
PNG
(CHEMBL3361123)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C18H14BrNO3S/c1-24(22,23)15-6-2-12(3-7-15)18(21)9-4-13-11-20-17-8-5-14(19)10-16(13)17/h2-11,20H,1H3/b9-4+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50038400
PNG
(CHEMBL3361125)
Show SMILES Cn1cc(\C=C\C(=O)c2ccc(cc2)S(C)(=O)=O)c2ccccc12
Show InChI InChI=1S/C19H17NO3S/c1-20-13-15(17-5-3-4-6-18(17)20)9-12-19(21)14-7-10-16(11-8-14)24(2,22)23/h3-13H,1-2H3/b12-9+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50038401
PNG
(CHEMBL3361126)
Show SMILES Cn1cc(\C=C\C(=O)c2ccc(cc2)C#N)c2ccccc12
Show InChI InChI=1S/C19H14N2O/c1-21-13-16(17-4-2-3-5-18(17)21)10-11-19(22)15-8-6-14(12-20)7-9-15/h2-11,13H,1H3/b11-10+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50038421
PNG
(CHEMBL3361127)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)\C=C\c1cn(C)c2ccccc12
Show InChI InChI=1S/C20H18N2O2/c1-14(23)21-17-10-7-15(8-11-17)20(24)12-9-16-13-22(2)19-6-4-3-5-18(16)19/h3-13H,1-2H3,(H,21,23)/b12-9+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038398
PNG
(CHEMBL3361123)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C18H14BrNO3S/c1-24(22,23)15-6-2-12(3-7-15)18(21)9-4-13-11-20-17-8-5-14(19)10-16(13)17/h2-11,20H,1H3/b9-4+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038397
PNG
(CHEMBL3361122)
Show SMILES Clc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C18H11ClN2O/c19-15-6-7-17-16(9-15)14(11-21-17)5-8-18(22)13-3-1-12(10-20)2-4-13/h1-9,11,21H/b8-5+
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Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038396
PNG
(CHEMBL3361121)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C18H14ClNO3S/c1-24(22,23)15-6-2-12(3-7-15)18(21)9-4-13-11-20-17-8-5-14(19)10-16(13)17/h2-11,20H,1H3/b9-4+
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Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038421
PNG
(CHEMBL3361127)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)\C=C\c1cn(C)c2ccccc12
Show InChI InChI=1S/C20H18N2O2/c1-14(23)21-17-10-7-15(8-11-17)20(24)12-9-16-13-22(2)19-6-4-3-5-18(16)19/h3-13H,1-2H3,(H,21,23)/b12-9+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038395
PNG
(CHEMBL3361120)
Show SMILES COc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C19H14N2O2/c1-23-16-7-8-18-17(10-16)15(12-21-18)6-9-19(22)14-4-2-13(11-20)3-5-14/h2-10,12,21H,1H3/b9-6+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM243037
PNG
(2-[4-(2-Benzyl)piperazine-1-yl]-N-[4-(2-methylthia...)
Show SMILES Cc1nc(cs1)-c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H26N4OS/c1-18-24-22(17-29-18)20-7-9-21(10-8-20)25-23(28)16-27-13-11-26(12-14-27)15-19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,25,28)
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n/an/a 11n/an/an/an/a8.025



Anadolu University



Assay Description
Enzyme solutions were prepared in gelatine solution (1%), at a concentration of 2.5 units/mL. AChE or BChE solution (50 μL) and compound solutio...


J Enzyme Inhib Med Chem 28: 1040-7 (2013)


Article DOI: 10.3109/14756366.2012.709242
BindingDB Entry DOI: 10.7270/Q2Q52NJN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 29n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200768
PNG
(CHEMBL3893120)
Show SMILES COc1cc2nc(NC(=O)CN3CCN(CCN(C)C)CC3)sc2cc1OC
Show InChI InChI=1S/C19H29N5O3S/c1-22(2)5-6-23-7-9-24(10-8-23)13-18(25)21-19-20-14-11-15(26-3)16(27-4)12-17(14)28-19/h11-12H,5-10,13H2,1-4H3,(H,20,21,25)
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n/an/a 46n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM243036
PNG
(2-[4-(2-Pyridyl)piperazine-1-yl]-N-[4-(2-methylthi...)
Show SMILES Cc1nc(cs1)-c1ccc(NC(=O)CN2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C21H23N5OS/c1-16-23-19(15-28-16)17-5-7-18(8-6-17)24-21(27)14-25-10-12-26(13-11-25)20-4-2-3-9-22-20/h2-9,15H,10-14H2,1H3,(H,24,27)
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n/an/a 51n/an/an/an/a8.025



Anadolu University



Assay Description
Enzyme solutions were prepared in gelatine solution (1%), at a concentration of 2.5 units/mL. AChE or BChE solution (50 μL) and compound solutio...


J Enzyme Inhib Med Chem 28: 1040-7 (2013)


Article DOI: 10.3109/14756366.2012.709242
BindingDB Entry DOI: 10.7270/Q2Q52NJN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 54n/an/an/an/a8.025



Anadolu University



Assay Description
Enzyme solutions were prepared in gelatine solution (1%), at a concentration of 2.5 units/mL. AChE or BChE solution (50 μL) and compound solutio...


J Enzyme Inhib Med Chem 28: 1040-7 (2013)


Article DOI: 10.3109/14756366.2012.709242
BindingDB Entry DOI: 10.7270/Q2Q52NJN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200752
PNG
(CHEMBL3947863)
Show SMILES COc1cc2nc(NC(=O)CN3CCN(CCCN(C)C)CC3)sc2cc1OC
Show InChI InChI=1S/C20H31N5O3S/c1-23(2)6-5-7-24-8-10-25(11-9-24)14-19(26)22-20-21-15-12-16(27-3)17(28-4)13-18(15)29-20/h12-13H,5-11,14H2,1-4H3,(H,21,22,26)
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n/an/a 58n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200773
PNG
(CHEMBL3899539)
Show SMILES COc1ccc2nc(NC(=O)CN3CCN(CCN(C)C)CC3)sc2c1
Show InChI InChI=1S/C18H27N5O2S/c1-21(2)6-7-22-8-10-23(11-9-22)13-17(24)20-18-19-15-5-4-14(25-3)12-16(15)26-18/h4-5,12H,6-11,13H2,1-3H3,(H,19,20,24)
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n/an/a 95n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200775
PNG
(CHEMBL3927564)
Show SMILES COc1ccc2nc(NC(=O)CN3CCN(CCCN(C)C)CC3)sc2c1
Show InChI InChI=1S/C19H29N5O2S/c1-22(2)7-4-8-23-9-11-24(12-10-23)14-18(25)21-19-20-16-6-5-15(26-3)13-17(16)27-19/h5-6,13H,4,7-12,14H2,1-3H3,(H,20,21,25)
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n/an/a 117n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200774
PNG
(CHEMBL3890574)
Show SMILES COc1cc2nc(NC(=O)CN3CCN(Cc4ccc(Cl)cc4)CC3)sc2cc1OC
Show InChI InChI=1S/C22H25ClN4O3S/c1-29-18-11-17-20(12-19(18)30-2)31-22(24-17)25-21(28)14-27-9-7-26(8-10-27)13-15-3-5-16(23)6-4-15/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,24,25,28)
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n/an/a 130n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200754
PNG
(CHEMBL3944106)
Show SMILES COc1cc2nc(NC(=O)CN3CCN(Cc4ccc(F)cc4)CC3)sc2cc1OC
Show InChI InChI=1S/C22H25FN4O3S/c1-29-18-11-17-20(12-19(18)30-2)31-22(24-17)25-21(28)14-27-9-7-26(8-10-27)13-15-3-5-16(23)6-4-15/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,24,25,28)
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n/an/a 175n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200770
PNG
(CHEMBL3921124)
Show SMILES COc1cc2nc(NC(=O)CN3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)sc2cc1OC
Show InChI InChI=1S/C23H25F3N4O3S/c1-32-18-11-17-20(12-19(18)33-2)34-22(27-17)28-21(31)14-30-9-7-29(8-10-30)13-15-3-5-16(6-4-15)23(24,25)26/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,27,28,31)
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n/an/a 198n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200776
PNG
(CHEMBL3930064)
Show SMILES COc1cc2nc(NC(=O)CN3CCN(Cc4ccc(C)cc4)CC3)sc2cc1OC
Show InChI InChI=1S/C23H28N4O3S/c1-16-4-6-17(7-5-16)14-26-8-10-27(11-9-26)15-22(28)25-23-24-18-12-19(29-2)20(30-3)13-21(18)31-23/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,25,28)
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n/an/a 215n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200771
PNG
(CHEMBL3954151)
Show SMILES COc1ccc2nc(NC(=O)CN3CCN(Cc4ccc(Cl)cc4)CC3)sc2c1
Show InChI InChI=1S/C21H23ClN4O2S/c1-28-17-6-7-18-19(12-17)29-21(23-18)24-20(27)14-26-10-8-25(9-11-26)13-15-2-4-16(22)5-3-15/h2-7,12H,8-11,13-14H2,1H3,(H,23,24,27)
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n/an/a 220n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 220n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured for ...


Eur J Med Chem 124: 1026-1040 (2016)


Article DOI: 10.1016/j.ejmech.2016.10.042
BindingDB Entry DOI: 10.7270/Q21838HV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200753
PNG
(CHEMBL3917538)
Show SMILES COc1ccc2nc(NC(=O)CN3CCN(Cc4ccc(F)cc4)CC3)sc2c1
Show InChI InChI=1S/C21H23FN4O2S/c1-28-17-6-7-18-19(12-17)29-21(23-18)24-20(27)14-26-10-8-25(9-11-26)13-15-2-4-16(22)5-3-15/h2-7,12H,8-11,13-14H2,1H3,(H,23,24,27)
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n/an/a 244n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200767
PNG
(CHEMBL3902092)
Show SMILES COc1ccc(CN2CCN(CC(=O)Nc3nc4cc(OC)c(OC)cc4s3)CC2)cc1
Show InChI InChI=1S/C23H28N4O4S/c1-29-17-6-4-16(5-7-17)14-26-8-10-27(11-9-26)15-22(28)25-23-24-18-12-19(30-2)20(31-3)13-21(18)32-23/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,25,28)
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n/an/a 252n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM243038
PNG
(2-[4-(2-Furoyl)piperazine-1-yl]-N-[4-(2-methylthia...)
Show SMILES Cc1nc(cs1)-c1ccc(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)cc1
Show InChI InChI=1S/C21H22N4O3S/c1-15-22-18(14-29-15)16-4-6-17(7-5-16)23-20(26)13-24-8-10-25(11-9-24)21(27)19-3-2-12-28-19/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)
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n/an/a 270n/an/an/an/a8.025



Anadolu University



Assay Description
Enzyme solutions were prepared in gelatine solution (1%), at a concentration of 2.5 units/mL. AChE or BChE solution (50 μL) and compound solutio...


J Enzyme Inhib Med Chem 28: 1040-7 (2013)


Article DOI: 10.3109/14756366.2012.709242
BindingDB Entry DOI: 10.7270/Q2Q52NJN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200751
PNG
(CHEMBL3895081)
Show SMILES COc1ccc2nc(NC(=O)CN3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)sc2c1
Show InChI InChI=1S/C22H23F3N4O2S/c1-31-17-6-7-18-19(12-17)32-21(26-18)27-20(30)14-29-10-8-28(9-11-29)13-15-2-4-16(5-3-15)22(23,24)25/h2-7,12H,8-11,13-14H2,1H3,(H,26,27,30)
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n/an/a 274n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200772
PNG
(CHEMBL3945424)
Show SMILES COc1ccc2nc(NC(=O)CN3CCN(Cc4ccc(C)cc4)CC3)sc2c1
Show InChI InChI=1S/C22H26N4O2S/c1-16-3-5-17(6-4-16)14-25-9-11-26(12-10-25)15-21(27)24-22-23-19-8-7-18(28-2)13-20(19)29-22/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,24,27)
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n/an/a 326n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
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 372n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured for ...


Eur J Med Chem 124: 1026-1040 (2016)


Article DOI: 10.1016/j.ejmech.2016.10.042
BindingDB Entry DOI: 10.7270/Q21838HV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200769
PNG
(CHEMBL3908591)
Show SMILES COc1ccc(CN2CCN(CC(=O)Nc3nc4ccc(OC)cc4s3)CC2)cc1
Show InChI InChI=1S/C22H26N4O3S/c1-28-17-5-3-16(4-6-17)14-25-9-11-26(12-10-25)15-21(27)24-22-23-19-8-7-18(29-2)13-20(19)30-22/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,24,27)
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n/an/a 397n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50208732
PNG
(CHEMBL3883808)
Show SMILES COc1cc2C\C(=C\c3ccc(cc3)N3CCN(CCCN(C)C)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H35N3O3/c1-28(2)10-5-11-29-12-14-30(15-13-29)23-8-6-20(7-9-23)16-22-17-21-18-25(32-3)26(33-4)19-24(21)27(22)31/h6-9,16,18-19H,5,10-15,17H2,1-4H3/b22-16-
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n/an/a 4.90E+3n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured for ...


Eur J Med Chem 124: 1026-1040 (2016)


Article DOI: 10.1016/j.ejmech.2016.10.042
BindingDB Entry DOI: 10.7270/Q21838HV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50208731
PNG
(CHEMBL3884142)
Show SMILES COc1ccc2C\C(=C\c3ccc(cc3)N3CCN(CCCN(C)C)CC3)C(=O)c2c1
Show InChI InChI=1S/C26H33N3O2/c1-27(2)11-4-12-28-13-15-29(16-14-28)23-8-5-20(6-9-23)17-22-18-21-7-10-24(31-3)19-25(21)26(22)30/h5-10,17,19H,4,11-16,18H2,1-3H3/b22-17-
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n/an/a 6.06E+3n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured for ...


Eur J Med Chem 124: 1026-1040 (2016)


Article DOI: 10.1016/j.ejmech.2016.10.042
BindingDB Entry DOI: 10.7270/Q21838HV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM243025
PNG
(2-(4-Cyclohexylpiperazine-1-yl)-N-[4-(2-methylthia...)
Show SMILES Cc1nc(cs1)-c1ccc(NC(=O)CN2CCN(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C22H30N4OS/c1-17-23-21(16-28-17)18-7-9-19(10-8-18)24-22(27)15-25-11-13-26(14-12-25)20-5-3-2-4-6-20/h7-10,16,20H,2-6,11-15H2,1H3,(H,24,27)
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n/an/a 6.34E+3n/an/an/an/a8.025



Anadolu University



Assay Description
Enzyme solutions were prepared in gelatine solution (1%), at a concentration of 2.5 units/mL. AChE or BChE solution (50 μL) and compound solutio...


J Enzyme Inhib Med Chem 28: 1040-7 (2013)


Article DOI: 10.3109/14756366.2012.709242
BindingDB Entry DOI: 10.7270/Q2Q52NJN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50208733
PNG
(CHEMBL3884047)
Show SMILES COc1cc2C\C(=C\c3ccc(cc3)N3CCN(CCN(C)C)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C26H33N3O3/c1-27(2)9-10-28-11-13-29(14-12-28)22-7-5-19(6-8-22)15-21-16-20-17-24(31-3)25(32-4)18-23(20)26(21)30/h5-8,15,17-18H,9-14,16H2,1-4H3/b21-15-
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n/an/a 6.38E+3n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured for ...


Eur J Med Chem 124: 1026-1040 (2016)


Article DOI: 10.1016/j.ejmech.2016.10.042
BindingDB Entry DOI: 10.7270/Q21838HV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM243023
PNG
(2-(4-Methylpiperazine-1-yl)-N-[4-(2-methylthiazol-...)
Show SMILES CN1CCN(CC(=O)Nc2ccc(cc2)-c2csc(C)n2)CC1
Show InChI InChI=1S/C17H22N4OS/c1-13-18-16(12-23-13)14-3-5-15(6-4-14)19-17(22)11-21-9-7-20(2)8-10-21/h3-6,12H,7-11H2,1-2H3,(H,19,22)
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n/an/a 7.12E+3n/an/an/an/a8.025



Anadolu University



Assay Description
Enzyme solutions were prepared in gelatine solution (1%), at a concentration of 2.5 units/mL. AChE or BChE solution (50 μL) and compound solutio...


J Enzyme Inhib Med Chem 28: 1040-7 (2013)


Article DOI: 10.3109/14756366.2012.709242
BindingDB Entry DOI: 10.7270/Q2Q52NJN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 7.18E+3n/an/an/an/an/an/a



Anadolu University



Assay Description
Enzyme solutions were prepared in gelatine solution (1%), at a concentration of 2.5 units/mL. AChE or BChE solution (50 μL) and compound solutio...


J Enzyme Inhib Med Chem 28: 1040-7 (2013)


Article DOI: 10.3109/14756366.2012.709242
BindingDB Entry DOI: 10.7270/Q2Q52NJN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM243035
PNG
(2-[4-(2-Methoxyphenyl)piperazine-1-yl]-N-[4-(2-met...)
Show SMILES COc1ccccc1N1CCN(CC(=O)Nc2ccc(cc2)-c2csc(C)n2)CC1
Show InChI InChI=1S/C23H26N4O2S/c1-17-24-20(16-30-17)18-7-9-19(10-8-18)25-23(28)15-26-11-13-27(14-12-26)21-5-3-4-6-22(21)29-2/h3-10,16H,11-15H2,1-2H3,(H,25,28)
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n/an/a 8.42E+3n/an/an/an/a8.025



Anadolu University



Assay Description
Enzyme solutions were prepared in gelatine solution (1%), at a concentration of 2.5 units/mL. AChE or BChE solution (50 μL) and compound solutio...


J Enzyme Inhib Med Chem 28: 1040-7 (2013)


Article DOI: 10.3109/14756366.2012.709242
BindingDB Entry DOI: 10.7270/Q2Q52NJN
More data for this
Ligand-Target Pair
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