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PubMed code 23140986

Compile data set for download or QSAR
Found 38 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402577
PNG
(CHEMBL2206129)
Show SMILES Fc1ccccc1C[n+]1ccc(\C=C\C(=O)c2cc3cc(Br)ccc3oc2=O)cc1
Show InChI InChI=1S/C24H16BrFNO3/c25-19-6-8-23-18(13-19)14-20(24(29)30-23)22(28)7-5-16-9-11-27(12-10-16)15-17-3-1-2-4-21(17)26/h1-14H,15H2/q+1/b7-5+
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n/an/a 0.110n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402583
PNG
(CHEMBL2206123)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccccc4C)cc3)c(=O)oc12
Show InChI InChI=1S/C26H22NO4/c1-18-6-3-4-7-21(18)17-27-14-12-19(13-15-27)10-11-23(28)22-16-20-8-5-9-24(30-2)25(20)31-26(22)29/h3-16H,17H2,1-2H3/q+1/b11-10+
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n/an/a 0.160n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402576
PNG
(CHEMBL2206130)
Show SMILES Fc1ccc(C[n+]2ccc(\C=C\C(=O)c3cc4cc(Br)ccc4oc3=O)cc2)cc1
Show InChI InChI=1S/C24H16BrFNO3/c25-19-4-8-23-18(13-19)14-21(24(29)30-23)22(28)7-3-16-9-11-27(12-10-16)15-17-1-5-20(26)6-2-17/h1-14H,15H2/q+1/b7-3+
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n/an/a 0.460n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402587
PNG
(CHEMBL2206119)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccccc4Cl)cc3)c(=O)oc12
Show InChI InChI=1S/C25H19ClNO4/c1-30-23-8-4-6-18-15-20(25(29)31-24(18)23)22(28)10-9-17-11-13-27(14-12-17)16-19-5-2-3-7-21(19)26/h2-15H,16H2,1H3/q+1/b10-9+
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n/an/a 0.460n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402590
PNG
(CHEMBL2205576)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4cccc(F)c4)cc3)c(=O)oc12
Show InChI InChI=1S/C25H19FNO4/c1-30-23-7-3-5-19-15-21(25(29)31-24(19)23)22(28)9-8-17-10-12-27(13-11-17)16-18-4-2-6-20(26)14-18/h2-15H,16H2,1H3/q+1/b9-8+
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n/an/a 0.470n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
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 14n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402591
PNG
(CHEMBL2205575)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccccc4F)cc3)c(=O)oc12
Show InChI InChI=1S/C25H19FNO4/c1-30-23-8-4-6-18-15-20(25(29)31-24(18)23)22(28)10-9-17-11-13-27(14-12-17)16-19-5-2-3-7-21(19)26/h2-15H,16H2,1H3/q+1/b10-9+
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n/an/a 26n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402580
PNG
(CHEMBL2206126)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4cccc(c4)C#N)cc3)c(=O)oc12
Show InChI InChI=1S/C26H19N2O4/c1-31-24-7-3-6-21-15-22(26(30)32-25(21)24)23(29)9-8-18-10-12-28(13-11-18)17-20-5-2-4-19(14-20)16-27/h2-15H,17H2,1H3/q+1/b9-8+
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n/an/a 76n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402586
PNG
(CHEMBL2206120)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4cccc(Cl)c4)cc3)c(=O)oc12
Show InChI InChI=1S/C25H19ClNO4/c1-30-23-7-3-5-19-15-21(25(29)31-24(19)23)22(28)9-8-17-10-12-27(13-11-17)16-18-4-2-6-20(26)14-18/h2-15H,16H2,1H3/q+1/b9-8+
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n/an/a 86n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402585
PNG
(CHEMBL2206121)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4cccc(Cl)c4Cl)cc3)c(=O)oc12
Show InChI InChI=1S/C25H18Cl2NO4/c1-31-22-7-3-4-17-14-19(25(30)32-24(17)22)21(29)9-8-16-10-12-28(13-11-16)15-18-5-2-6-20(26)23(18)27/h2-14H,15H2,1H3/q+1/b9-8+
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n/an/a 120n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50402587
PNG
(CHEMBL2206119)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccccc4Cl)cc3)c(=O)oc12
Show InChI InChI=1S/C25H19ClNO4/c1-30-23-8-4-6-18-15-20(25(29)31-24(18)23)22(28)10-9-17-11-13-27(14-12-17)16-19-5-2-3-7-21(19)26/h2-15H,16H2,1H3/q+1/b10-9+
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n/an/a 125n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50402591
PNG
(CHEMBL2205575)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccccc4F)cc3)c(=O)oc12
Show InChI InChI=1S/C25H19FNO4/c1-30-23-8-4-6-18-15-20(25(29)31-24(18)23)22(28)10-9-17-11-13-27(14-12-17)16-19-5-2-3-7-21(19)26/h2-15H,16H2,1H3/q+1/b10-9+
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n/an/a 329n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402588
PNG
(CHEMBL2206118)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4c(F)cccc4[N+]([O-])=O)cc3)c(=O)oc12
Show InChI InChI=1S/C25H18FN2O6/c1-33-23-7-2-4-17-14-18(25(30)34-24(17)23)22(29)9-8-16-10-12-27(13-11-16)15-19-20(26)5-3-6-21(19)28(31)32/h2-14H,15H2,1H3/q+1/b9-8+
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n/an/a 330n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50402583
PNG
(CHEMBL2206123)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccccc4C)cc3)c(=O)oc12
Show InChI InChI=1S/C26H22NO4/c1-18-6-3-4-7-21(18)17-27-14-12-19(13-15-27)10-11-23(28)22-16-20-8-5-9-24(30-2)25(20)31-26(22)29/h3-16H,17H2,1-2H3/q+1/b11-10+
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n/an/a 342n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402584
PNG
(CHEMBL2206122)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccc(Cl)c(Cl)c4)cc3)c(=O)oc12
Show InChI InChI=1S/C25H18Cl2NO4/c1-31-23-4-2-3-18-14-19(25(30)32-24(18)23)22(29)8-6-16-9-11-28(12-10-16)15-17-5-7-20(26)21(27)13-17/h2-14H,15H2,1H3/q+1/b8-6+
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n/an/a 440n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402589
PNG
(CHEMBL2205577)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccc(F)cc4)cc3)c(=O)oc12
Show InChI InChI=1S/C25H19FNO4/c1-30-23-4-2-3-19-15-21(25(29)31-24(19)23)22(28)10-7-17-11-13-27(14-12-17)16-18-5-8-20(26)9-6-18/h2-15H,16H2,1H3/q+1/b10-7+
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n/an/a 472n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50402577
PNG
(CHEMBL2206129)
Show SMILES Fc1ccccc1C[n+]1ccc(\C=C\C(=O)c2cc3cc(Br)ccc3oc2=O)cc1
Show InChI InChI=1S/C24H16BrFNO3/c25-19-6-8-23-18(13-19)14-20(24(29)30-23)22(28)7-5-16-9-11-27(12-10-16)15-17-3-1-2-4-21(17)26/h1-14H,15H2/q+1/b7-5+
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n/an/a 489n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50402576
PNG
(CHEMBL2206130)
Show SMILES Fc1ccc(C[n+]2ccc(\C=C\C(=O)c3cc4cc(Br)ccc4oc3=O)cc2)cc1
Show InChI InChI=1S/C24H16BrFNO3/c25-19-4-8-23-18(13-19)14-21(24(29)30-23)22(28)7-3-16-9-11-27(12-10-16)15-17-1-5-20(26)6-2-17/h1-14H,15H2/q+1/b7-3+
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n/an/a 494n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402593
PNG
(CHEMBL2205573)
Show SMILES Fc1ccccc1C[n+]1ccc(\C=C\C(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C24H17FNO3/c25-21-7-3-1-6-19(21)16-26-13-11-17(12-14-26)9-10-22(27)20-15-18-5-2-4-8-23(18)29-24(20)28/h1-15H,16H2/q+1/b10-9+
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n/an/a 540n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50402586
PNG
(CHEMBL2206120)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4cccc(Cl)c4)cc3)c(=O)oc12
Show InChI InChI=1S/C25H19ClNO4/c1-30-23-7-3-5-19-15-21(25(29)31-24(19)23)22(28)9-8-17-10-12-27(13-11-17)16-18-4-2-6-20(26)14-18/h2-15H,16H2,1H3/q+1/b9-8+
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n/an/a 560n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50402588
PNG
(CHEMBL2206118)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4c(F)cccc4[N+]([O-])=O)cc3)c(=O)oc12
Show InChI InChI=1S/C25H18FN2O6/c1-33-23-7-2-4-17-14-18(25(30)34-24(17)23)22(29)9-8-16-10-12-27(13-11-16)15-19-20(26)5-3-6-21(19)28(31)32/h2-14H,15H2,1H3/q+1/b9-8+
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n/an/a 685n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402592
PNG
(CHEMBL2205574)
Show SMILES Fc1ccc(C[n+]2ccc(\C=C\C(=O)c3cc4ccccc4oc3=O)cc2)cc1
Show InChI InChI=1S/C24H17FNO3/c25-20-8-5-18(6-9-20)16-26-13-11-17(12-14-26)7-10-22(27)21-15-19-3-1-2-4-23(19)29-24(21)28/h1-15H,16H2/q+1/b10-7+
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n/an/a 760n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402582
PNG
(CHEMBL2206124)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4cccc(C)c4)cc3)c(=O)oc12
Show InChI InChI=1S/C26H22NO4/c1-18-5-3-6-20(15-18)17-27-13-11-19(12-14-27)9-10-23(28)22-16-21-7-4-8-24(30-2)25(21)31-26(22)29/h3-16H,17H2,1-2H3/q+1/b10-9+
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n/an/a 800n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50402593
PNG
(CHEMBL2205573)
Show SMILES Fc1ccccc1C[n+]1ccc(\C=C\C(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C24H17FNO3/c25-21-7-3-1-6-19(21)16-26-13-11-17(12-14-26)9-10-22(27)20-15-18-5-2-4-8-23(18)29-24(20)28/h1-15H,16H2/q+1/b10-9+
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n/an/a 848n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50402592
PNG
(CHEMBL2205574)
Show SMILES Fc1ccc(C[n+]2ccc(\C=C\C(=O)c3cc4ccccc4oc3=O)cc2)cc1
Show InChI InChI=1S/C24H17FNO3/c25-20-8-5-18(6-9-20)16-26-13-11-17(12-14-26)7-10-22(27)21-15-19-3-1-2-4-23(19)29-24(21)28/h1-15H,16H2/q+1/b10-7+
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n/an/a 910n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50402589
PNG
(CHEMBL2205577)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccc(F)cc4)cc3)c(=O)oc12
Show InChI InChI=1S/C25H19FNO4/c1-30-23-4-2-3-19-15-21(25(29)31-24(19)23)22(28)10-7-17-11-13-27(14-12-17)16-18-5-8-20(26)9-6-18/h2-15H,16H2,1H3/q+1/b10-7+
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n/an/a 931n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50402578
PNG
(CHEMBL2206128)
Show SMILES COc1ccc(C[n+]2ccc(\C=C\C(=O)c3cc4cccc(OC)c4oc3=O)cc2)cc1
Show InChI InChI=1S/C26H22NO5/c1-30-21-9-6-19(7-10-21)17-27-14-12-18(13-15-27)8-11-23(28)22-16-20-4-3-5-24(31-2)25(20)32-26(22)29/h3-16H,17H2,1-2H3/q+1/b11-8+
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n/an/a 971n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50402580
PNG
(CHEMBL2206126)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4cccc(c4)C#N)cc3)c(=O)oc12
Show InChI InChI=1S/C26H19N2O4/c1-31-24-7-3-6-21-15-22(26(30)32-25(21)24)23(29)9-8-18-10-12-28(13-11-18)17-20-5-2-4-19(14-20)16-27/h2-15H,17H2,1H3/q+1/b9-8+
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n/an/a 1.00E+3n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402578
PNG
(CHEMBL2206128)
Show SMILES COc1ccc(C[n+]2ccc(\C=C\C(=O)c3cc4cccc(OC)c4oc3=O)cc2)cc1
Show InChI InChI=1S/C26H22NO5/c1-30-21-9-6-19(7-10-21)17-27-14-12-18(13-15-27)8-11-23(28)22-16-20-4-3-5-24(31-2)25(20)32-26(22)29/h3-16H,17H2,1-2H3/q+1/b11-8+
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n/an/a 1.47E+3n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402579
PNG
(CHEMBL2206127)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccc(CCl)cc4)cc3)c(=O)oc12
Show InChI InChI=1S/C26H21ClNO4/c1-31-24-4-2-3-21-15-22(26(30)32-25(21)24)23(29)10-9-18-11-13-28(14-12-18)17-20-7-5-19(16-27)6-8-20/h2-15H,16-17H2,1H3/q+1/b10-9+
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n/an/a 1.60E+3n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50402590
PNG
(CHEMBL2205576)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4cccc(F)c4)cc3)c(=O)oc12
Show InChI InChI=1S/C25H19FNO4/c1-30-23-7-3-5-19-15-21(25(29)31-24(19)23)22(28)9-8-17-10-12-27(13-11-17)16-18-4-2-6-20(26)14-18/h2-15H,16H2,1H3/q+1/b9-8+
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n/an/a 2.10E+3n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402581
PNG
(CHEMBL2206125)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccc(C)cc4)cc3)c(=O)oc12
Show InChI InChI=1S/C26H22NO4/c1-18-6-8-20(9-7-18)17-27-14-12-19(13-15-27)10-11-23(28)22-16-21-4-3-5-24(30-2)25(21)31-26(22)29/h3-16H,17H2,1-2H3/q+1/b11-10+
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n/an/a 3.65E+3n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 5.38E+3n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50402584
PNG
(CHEMBL2206122)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccc(Cl)c(Cl)c4)cc3)c(=O)oc12
Show InChI InChI=1S/C25H18Cl2NO4/c1-31-23-4-2-3-18-14-19(25(30)32-24(18)23)22(29)8-6-16-9-11-28(12-10-16)15-17-5-7-20(26)21(27)13-17/h2-14H,15H2,1H3/q+1/b8-6+
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n/an/a 5.79E+3n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50402585
PNG
(CHEMBL2206121)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4cccc(Cl)c4Cl)cc3)c(=O)oc12
Show InChI InChI=1S/C25H18Cl2NO4/c1-31-22-7-3-4-17-14-19(25(30)32-24(17)22)21(29)9-8-16-10-12-28(13-11-16)15-18-5-2-6-20(26)23(18)27/h2-14H,15H2,1H3/q+1/b9-8+
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n/an/a 6.80E+3n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50402582
PNG
(CHEMBL2206124)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4cccc(C)c4)cc3)c(=O)oc12
Show InChI InChI=1S/C26H22NO4/c1-18-5-3-6-20(15-18)17-27-13-11-19(12-14-27)9-10-23(28)22-16-21-7-4-8-24(30-2)25(21)31-26(22)29/h3-16H,17H2,1-2H3/q+1/b10-9+
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n/an/a 1.12E+4n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50402579
PNG
(CHEMBL2206127)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccc(CCl)cc4)cc3)c(=O)oc12
Show InChI InChI=1S/C26H21ClNO4/c1-31-24-4-2-3-21-15-22(26(30)32-25(21)24)23(29)10-9-18-11-13-28(14-12-18)17-20-7-5-19(16-27)6-8-20/h2-15H,16-17H2,1H3/q+1/b10-9+
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n/an/a 1.51E+4n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50402581
PNG
(CHEMBL2206125)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccc(C)cc4)cc3)c(=O)oc12
Show InChI InChI=1S/C26H22NO4/c1-18-6-8-20(9-7-18)17-27-14-12-19(13-15-27)10-11-23(28)22-16-21-4-3-5-24(30-2)25(21)31-26(22)29/h3-16H,17H2,1-2H3/q+1/b11-10+
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n/an/a 2.70E+4n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%