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PubMed code 15974596

Compile data set for download or QSAR
Found 36 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


(Homo sapiens (Human))		BDBM10692
PNG
(3-{[methyl({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl})...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
Show InChI InChI=1S/C26H26N2O5/c1-27-26(30)32-20-8-5-7-18(15-20)17-28(2)13-6-14-31-19-11-12-22-24(16-19)33-23-10-4-3-9-21(23)25(22)29/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3,(H,27,30)
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n/an/a 0.300n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10693
PNG
(3-{[methyl({7-[(9-oxo-9H-xanthen-3-yl)oxy]heptyl})...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
Show InChI InChI=1S/C30H34N2O5/c1-31-30(34)36-24-12-10-11-22(19-24)21-32(2)17-8-4-3-5-9-18-35-23-15-16-26-28(20-23)37-27-14-7-6-13-25(27)29(26)33/h6-7,10-16,19-20H,3-5,8-9,17-18,21H2,1-2H3,(H,31,34)
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n/an/a 0.320n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10697
PNG
(3-{[methyl(7-{[(2Z)-3-oxo-2-(3,4,5-trimethoxybenzy...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:31.33|
Show InChI InChI=1S/C35H42N2O8/c1-36-35(39)44-27-13-11-12-24(18-27)23-37(2)16-9-7-6-8-10-17-43-26-14-15-28-29(22-26)45-30(33(28)38)19-25-20-31(40-3)34(42-5)32(21-25)41-4/h11-15,18-22H,6-10,16-17,23H2,1-5H3,(H,36,39)
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n/an/a 0.520n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10704
PNG
(3-{[methyl(7-{[(2E)-1-oxo-2-(3,4,5-trimethoxybenzy...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Cc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:31.33|
Show InChI InChI=1S/C36H44N2O7/c1-37-36(40)45-30-13-11-12-25(19-30)24-38(2)16-9-7-6-8-10-17-44-29-14-15-31-27(23-29)22-28(34(31)39)18-26-20-32(41-3)35(43-5)33(21-26)42-4/h11-15,18-21,23H,6-10,16-17,22,24H2,1-5H3,(H,37,40)
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n/an/a 1.80n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10701
PNG
(3-{[(7-{[(2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-be...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccccc2)c1 |w:31.33|
Show InChI InChI=1S/C32H36N2O5/c1-33-32(36)38-27-15-11-14-25(20-27)23-34(2)18-9-4-3-5-10-19-37-26-16-17-28-29(22-26)39-30(31(28)35)21-24-12-7-6-8-13-24/h6-8,11-17,20-22H,3-5,9-10,18-19,23H2,1-2H3,(H,33,36)
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n/an/a 1.95n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10699
PNG
(3-{[methyl(7-{[(2Z)-2-(2-naphthylmethylene)-3-oxo-...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccc3ccccc3c2)c1 |w:31.33|
Show InChI InChI=1S/C36H38N2O5/c1-37-36(40)42-31-14-10-11-27(22-31)25-38(2)19-8-4-3-5-9-20-41-30-17-18-32-33(24-30)43-34(35(32)39)23-26-15-16-28-12-6-7-13-29(28)21-26/h6-7,10-18,21-24H,3-5,8-9,19-20,25H2,1-2H3,(H,37,40)
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n/an/a 2.09n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10698
PNG
(3-{[methyl(7-{[(2Z)-2-(1-naphthylmethylene)-3-oxo-...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cccc3ccccc23)c1 |w:31.33|
Show InChI InChI=1S/C36H38N2O5/c1-37-36(40)42-30-16-10-12-26(22-30)25-38(2)20-8-4-3-5-9-21-41-29-18-19-32-33(24-29)43-34(35(32)39)23-28-15-11-14-27-13-6-7-17-31(27)28/h6-7,10-19,22-24H,3-5,8-9,20-21,25H2,1-2H3,(H,37,40)
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n/an/a 2.76n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10694
PNG
(3-{[methyl(3-{[(2Z)-3-oxo-2-(3,4,5-trimethoxybenzy...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3C(=O)C(Oc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:27.29|
Show InChI InChI=1S/C31H34N2O8/c1-32-31(35)40-23-9-6-8-20(14-23)19-33(2)12-7-13-39-22-10-11-24-25(18-22)41-26(29(24)34)15-21-16-27(36-3)30(38-5)28(17-21)37-4/h6,8-11,14-18H,7,12-13,19H2,1-5H3,(H,32,35)
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n/an/a 2.99n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10696
PNG
(3-{[methyl(3-{[(2Z)-2-(2-naphthylmethylene)-3-oxo-...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccc3ccccc3c2)c1 |w:27.29|
Show InChI InChI=1S/C32H30N2O5/c1-33-32(36)38-27-10-5-7-23(18-27)21-34(2)15-6-16-37-26-13-14-28-29(20-26)39-30(31(28)35)19-22-11-12-24-8-3-4-9-25(24)17-22/h3-5,7-14,17-20H,6,15-16,21H2,1-2H3,(H,33,36)
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n/an/a 3.41n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10706
PNG
(3-{[methyl(7-{[(6E)-5-oxo-6-(3,4,5-trimethoxybenzy...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(CCc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:32.34|
Show InChI InChI=1S/C37H46N2O7/c1-38-37(41)46-31-13-11-12-26(21-31)25-39(2)18-9-7-6-8-10-19-45-30-16-17-32-28(24-30)14-15-29(35(32)40)20-27-22-33(42-3)36(44-5)34(23-27)43-4/h11-13,16-17,20-24H,6-10,14-15,18-19,25H2,1-5H3,(H,38,41)
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n/an/a 4.94n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10695
PNG
(3-{[methyl(3-{[(2Z)-2-(1-naphthylmethylene)-3-oxo-...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3C(=O)C(Oc3c2)=Cc2cccc3ccccc23)c1 |w:27.29|
Show InChI InChI=1S/C32H30N2O5/c1-33-32(36)38-26-12-5-8-22(18-26)21-34(2)16-7-17-37-25-14-15-28-29(20-25)39-30(31(28)35)19-24-11-6-10-23-9-3-4-13-27(23)24/h3-6,8-15,18-20H,7,16-17,21H2,1-2H3,(H,33,36)
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n/an/a 6.86n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10702
PNG
(3-{[(7-{[(2Z)-2-[(3,4-dichlorophenyl)methylidene]-...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccc(Cl)c(Cl)c2)c1 |w:31.33|
Show InChI InChI=1S/C32H34Cl2N2O5/c1-35-32(38)40-25-10-8-9-23(17-25)21-36(2)15-6-4-3-5-7-16-39-24-12-13-26-29(20-24)41-30(31(26)37)19-22-11-14-27(33)28(34)18-22/h8-14,17-20H,3-7,15-16,21H2,1-2H3,(H,35,38)
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n/an/a 8n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10705
PNG
(3-{[methyl(7-{[(3E)-4-oxo-3-(3,4,5-trimethoxybenzy...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(COc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:32.34|
Show InChI InChI=1S/C36H44N2O8/c1-37-36(40)46-29-13-11-12-25(19-29)23-38(2)16-9-7-6-8-10-17-44-28-14-15-30-31(22-28)45-24-27(34(30)39)18-26-20-32(41-3)35(43-5)33(21-26)42-4/h11-15,18-22H,6-10,16-17,23-24H2,1-5H3,(H,37,40)
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n/an/a 9.81n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10709
PNG
(1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3N(C)CCC3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)
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n/an/a 14.1n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10693
PNG
(3-{[methyl({7-[(9-oxo-9H-xanthen-3-yl)oxy]heptyl})...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
Show InChI InChI=1S/C30H34N2O5/c1-31-30(34)36-24-12-10-11-22(19-24)21-32(2)17-8-4-3-5-9-18-35-23-15-16-26-28(20-23)37-27-14-7-6-13-25(27)29(26)33/h6-7,10-16,19-20H,3-5,8-9,17-18,21H2,1-2H3,(H,31,34)
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n/an/a 16.5n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10709
PNG
(1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3N(C)CCC3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)
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n/an/a 23.1n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10698
PNG
(3-{[methyl(7-{[(2Z)-2-(1-naphthylmethylene)-3-oxo-...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cccc3ccccc23)c1 |w:31.33|
Show InChI InChI=1S/C36H38N2O5/c1-37-36(40)42-30-16-10-12-26(22-30)25-38(2)20-8-4-3-5-9-21-41-29-18-19-32-33(24-29)43-34(35(32)39)23-28-15-11-14-27-13-6-7-17-31(27)28/h6-7,10-19,22-24H,3-5,8-9,20-21,25H2,1-2H3,(H,37,40)
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n/an/a 40.2n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10695
PNG
(3-{[methyl(3-{[(2Z)-2-(1-naphthylmethylene)-3-oxo-...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3C(=O)C(Oc3c2)=Cc2cccc3ccccc23)c1 |w:27.29|
Show InChI InChI=1S/C32H30N2O5/c1-33-32(36)38-26-12-5-8-22(18-26)21-34(2)16-7-17-37-25-14-15-28-29(20-25)39-30(31(28)35)19-24-11-6-10-23-9-3-4-13-27(23)24/h3-6,8-15,18-20H,7,16-17,21H2,1-2H3,(H,33,36)
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n/an/a 44.3n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10703
PNG
(3-{[(7-{[(2Z)-2-(3,5-dichlorobenzylidene)-3-oxo-2,...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cc(Cl)cc(Cl)c2)c1 |w:31.33|
Show InChI InChI=1S/C32H34Cl2N2O5/c1-35-32(38)40-27-10-8-9-22(17-27)21-36(2)13-6-4-3-5-7-14-39-26-11-12-28-29(20-26)41-30(31(28)37)18-23-15-24(33)19-25(34)16-23/h8-12,15-20H,3-7,13-14,21H2,1-2H3,(H,35,38)
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n/an/a 44.6n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10692
PNG
(3-{[methyl({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl})...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
Show InChI InChI=1S/C26H26N2O5/c1-27-26(30)32-20-8-5-7-18(15-20)17-28(2)13-6-14-31-19-11-12-22-24(16-19)33-23-10-4-3-9-21(23)25(22)29/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3,(H,27,30)
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n/an/a 48n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10701
PNG
(3-{[(7-{[(2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-be...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccccc2)c1 |w:31.33|
Show InChI InChI=1S/C32H36N2O5/c1-33-32(36)38-27-15-11-14-25(20-27)23-34(2)18-9-4-3-5-10-19-37-26-16-17-28-29(22-26)39-30(31(28)35)21-24-12-7-6-8-13-24/h6-8,11-17,20-22H,3-5,9-10,18-19,23H2,1-2H3,(H,33,36)
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n/an/a 57.9n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10696
PNG
(3-{[methyl(3-{[(2Z)-2-(2-naphthylmethylene)-3-oxo-...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccc3ccccc3c2)c1 |w:27.29|
Show InChI InChI=1S/C32H30N2O5/c1-33-32(36)38-27-10-5-7-23(18-27)21-34(2)15-6-16-37-26-13-14-28-29(20-26)39-30(31(28)35)19-22-11-12-24-8-3-4-9-25(24)17-22/h3-5,7-14,17-20H,6,15-16,21H2,1-2H3,(H,33,36)
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n/an/a 70.3n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10699
PNG
(3-{[methyl(7-{[(2Z)-2-(2-naphthylmethylene)-3-oxo-...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccc3ccccc3c2)c1 |w:31.33|
Show InChI InChI=1S/C36H38N2O5/c1-37-36(40)42-31-14-10-11-27(22-31)25-38(2)19-8-4-3-5-9-20-41-30-17-18-32-33(24-30)43-34(35(32)39)23-26-15-16-28-12-6-7-13-29(28)21-26/h6-7,10-18,21-24H,3-5,8-9,19-20,25H2,1-2H3,(H,37,40)
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n/an/a 74.8n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10700
PNG
(3-{[(7-{[(2Z)-2-(9-anthrylmethylene)-3-oxo-2,3-dih...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2c3ccccc3cc3ccccc23)c1 |w:31.33|
Show InChI InChI=1S/C40H40N2O5/c1-41-40(44)46-32-16-12-13-28(23-32)27-42(2)21-10-4-3-5-11-22-45-31-19-20-35-37(25-31)47-38(39(35)43)26-36-33-17-8-6-14-29(33)24-30-15-7-9-18-34(30)36/h6-9,12-20,23-26H,3-5,10-11,21-22,27H2,1-2H3,(H,41,44)
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n/an/a 79.1n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10704
PNG
(3-{[methyl(7-{[(2E)-1-oxo-2-(3,4,5-trimethoxybenzy...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Cc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:31.33|
Show InChI InChI=1S/C36H44N2O7/c1-37-36(40)45-30-13-11-12-25(19-30)24-38(2)16-9-7-6-8-10-17-44-29-14-15-31-27(23-29)22-28(34(31)39)18-26-20-32(41-3)35(43-5)33(21-26)42-4/h11-15,18-21,23H,6-10,16-17,22,24H2,1-5H3,(H,37,40)
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n/an/a 81.3n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10706
PNG
(3-{[methyl(7-{[(6E)-5-oxo-6-(3,4,5-trimethoxybenzy...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(CCc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:32.34|
Show InChI InChI=1S/C37H46N2O7/c1-38-37(41)46-31-13-11-12-26(21-31)25-39(2)18-9-7-6-8-10-19-45-30-16-17-32-28(24-30)14-15-29(35(32)40)20-27-22-33(42-3)36(44-5)34(23-27)43-4/h11-13,16-17,20-24H,6-10,14-15,18-19,25H2,1-5H3,(H,38,41)
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n/an/a 84.4n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10702
PNG
(3-{[(7-{[(2Z)-2-[(3,4-dichlorophenyl)methylidene]-...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccc(Cl)c(Cl)c2)c1 |w:31.33|
Show InChI InChI=1S/C32H34Cl2N2O5/c1-35-32(38)40-25-10-8-9-23(17-25)21-36(2)15-6-4-3-5-7-16-39-24-12-13-26-29(20-24)41-30(31(26)37)19-22-11-14-27(33)28(34)18-22/h8-14,17-20H,3-7,15-16,21H2,1-2H3,(H,35,38)
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n/an/a 94.6n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10703
PNG
(3-{[(7-{[(2Z)-2-(3,5-dichlorobenzylidene)-3-oxo-2,...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cc(Cl)cc(Cl)c2)c1 |w:31.33|
Show InChI InChI=1S/C32H34Cl2N2O5/c1-35-32(38)40-27-10-8-9-22(17-27)21-36(2)13-6-4-3-5-7-14-39-26-11-12-28-29(20-26)41-30(31(28)37)18-23-15-24(33)19-25(34)16-23/h8-12,15-20H,3-7,13-14,21H2,1-2H3,(H,35,38)
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n/an/a 130n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10697
PNG
(3-{[methyl(7-{[(2Z)-3-oxo-2-(3,4,5-trimethoxybenzy...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:31.33|
Show InChI InChI=1S/C35H42N2O8/c1-36-35(39)44-27-13-11-12-24(18-27)23-37(2)16-9-7-6-8-10-17-43-26-14-15-28-29(22-26)45-30(33(28)38)19-25-20-31(40-3)34(42-5)32(21-25)41-4/h11-15,18-22H,6-10,16-17,23H2,1-5H3,(H,36,39)
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n/an/a 136n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10705
PNG
(3-{[methyl(7-{[(3E)-4-oxo-3-(3,4,5-trimethoxybenzy...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(COc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:32.34|
Show InChI InChI=1S/C36H44N2O8/c1-37-36(40)46-29-13-11-12-25(19-29)23-38(2)16-9-7-6-8-10-17-44-28-14-15-30-31(22-28)45-24-27(34(30)39)18-26-20-32(41-3)35(43-5)33(21-26)42-4/h11-15,18-22H,6-10,16-17,23-24H2,1-5H3,(H,37,40)
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n/an/a 153n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10694
PNG
(3-{[methyl(3-{[(2Z)-3-oxo-2-(3,4,5-trimethoxybenzy...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3C(=O)C(Oc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:27.29|
Show InChI InChI=1S/C31H34N2O8/c1-32-31(35)40-23-9-6-8-20(14-23)19-33(2)12-7-13-39-22-10-11-24-25(18-22)41-26(29(24)34)15-21-16-27(36-3)30(38-5)28(17-21)37-4/h6,8-11,14-18H,7,12-13,19H2,1-5H3,(H,32,35)
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n/an/a 155n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10700
PNG
(3-{[(7-{[(2Z)-2-(9-anthrylmethylene)-3-oxo-2,3-dih...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2c3ccccc3cc3ccccc23)c1 |w:31.33|
Show InChI InChI=1S/C40H40N2O5/c1-41-40(44)46-32-16-12-13-28(23-32)27-42(2)21-10-4-3-5-11-22-45-31-19-20-35-37(25-31)47-38(39(35)43)26-36-33-17-8-6-14-29(33)24-30-15-7-9-18-34(30)36/h6-9,12-20,23-26H,3-5,10-11,21-22,27H2,1-2H3,(H,41,44)
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n/an/a 761n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10708
PNG
(3-[(methyl{7-[(3-oxo-2,3-dihydro-1-benzofuran-6-yl...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3c(O)coc3c2)c1
Show InChI InChI=1S/C25H32N2O5/c1-26-25(29)32-21-10-8-9-19(15-21)17-27(2)13-6-4-3-5-7-14-30-20-11-12-22-23(28)18-31-24(22)16-20/h8-12,15-16,18,28H,3-7,13-14,17H2,1-2H3,(H,26,29)
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n/an/a 1.61E+3n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10707
PNG
((2Z)-6-({7-[(3-hydroxybenzyl)(methyl)amino]heptyl}...)
Show SMILES CN(CCCCCCCOc1ccc2C(=O)\C(Oc2c1)=C\c1cccc2ccccc12)Cc1cccc(O)c1
Show InChI InChI=1S/C34H35NO4/c1-35(24-25-11-9-15-28(36)21-25)19-7-3-2-4-8-20-38-29-17-18-31-32(23-29)39-33(34(31)37)22-27-14-10-13-26-12-5-6-16-30(26)27/h5-6,9-18,21-23,36H,2-4,7-8,19-20,24H2,1H3/b33-22-
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n/an/a 4.65E+3n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10708
PNG
(3-[(methyl{7-[(3-oxo-2,3-dihydro-1-benzofuran-6-yl...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3c(O)coc3c2)c1
Show InChI InChI=1S/C25H32N2O5/c1-26-25(29)32-21-10-8-9-19(15-21)17-27(2)13-6-4-3-5-7-14-30-20-11-12-22-23(28)18-31-24(22)16-20/h8-12,15-16,18,28H,3-7,13-14,17H2,1-2H3,(H,26,29)
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n/an/a 1.14E+4n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10707
PNG
((2Z)-6-({7-[(3-hydroxybenzyl)(methyl)amino]heptyl}...)
Show SMILES CN(CCCCCCCOc1ccc2C(=O)\C(Oc2c1)=C\c1cccc2ccccc12)Cc1cccc(O)c1
Show InChI InChI=1S/C34H35NO4/c1-35(24-25-11-9-15-28(36)21-25)19-7-3-2-4-8-20-38-29-17-18-31-32(23-29)39-33(34(31)37)22-27-14-10-13-26-12-5-6-16-30(26)27/h5-6,9-18,21-23,36H,2-4,7-8,19-20,24H2,1H3/b33-22-
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n/an/a 4.96E+4n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 48: 4444-56 (2005)


Article DOI: 10.1021/jm049515h
BindingDB Entry DOI: 10.7270/Q2R78CF8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%