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PubMed code 15537349

Compile data set for download or QSAR
Found 18 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
Cholinesterase


(Homo sapiens (Human))
BDBM10955
PNG
((2S,6R)-3-methyl-8-oxa-3-azatricyclo[7.4.0.0^{2,6}...)
Show SMILES [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NCCCCCCC)c1OC2 |r|
Show InChI InChI=1S/C20H30N2O3/c1-3-4-5-6-7-12-21-20(23)25-17-10-8-9-16-18-15(11-13-22(18)2)14-24-19(16)17/h8-10,15,18H,3-7,11-14H2,1-2H3,(H,21,23)/t15-,18-/m0/s1
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Article
PubMed
n/an/a 1.26n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 47: 5945-52 (2004)


Article DOI: 10.1021/jm049782n
BindingDB Entry DOI: 10.7270/Q2668BD3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10953
PNG
((2S,6R)-3-methyl-8-thia-3-azatricyclo[7.4.0.0^{2,6...)
Show SMILES [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NC)c1SC2 |r|
Show InChI InChI=1S/C14H18N2O2S/c1-15-14(17)18-11-5-3-4-10-12-9(6-7-16(12)2)8-19-13(10)11/h3-5,9,12H,6-8H2,1-2H3,(H,15,17)/t9-,12-/m0/s1
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n/an/a 8.11n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 47: 5945-52 (2004)


Article DOI: 10.1021/jm049782n
BindingDB Entry DOI: 10.7270/Q2668BD3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10953
PNG
((2S,6R)-3-methyl-8-thia-3-azatricyclo[7.4.0.0^{2,6...)
Show SMILES [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NC)c1SC2 |r|
Show InChI InChI=1S/C14H18N2O2S/c1-15-14(17)18-11-5-3-4-10-12-9(6-7-16(12)2)8-19-13(10)11/h3-5,9,12H,6-8H2,1-2H3,(H,15,17)/t9-,12-/m0/s1
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n/an/a 10.5n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 47: 5945-52 (2004)


Article DOI: 10.1021/jm049782n
BindingDB Entry DOI: 10.7270/Q2668BD3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10952
PNG
((2S,6R)-3-methyl-3-azatricyclo[7.4.0.0^{2,6}]tride...)
Show SMILES [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NC)c1CC2 |r|
Show InChI InChI=1S/C15H20N2O2/c1-16-15(18)19-13-5-3-4-12-11(13)7-6-10-8-9-17(2)14(10)12/h3-5,10,14H,6-9H2,1-2H3,(H,16,18)/t10-,14+/m1/s1
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PubMed
n/an/a 17.3n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 47: 5945-52 (2004)


Article DOI: 10.1021/jm049782n
BindingDB Entry DOI: 10.7270/Q2668BD3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10955
PNG
((2S,6R)-3-methyl-8-oxa-3-azatricyclo[7.4.0.0^{2,6}...)
Show SMILES [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NCCCCCCC)c1OC2 |r|
Show InChI InChI=1S/C20H30N2O3/c1-3-4-5-6-7-12-21-20(23)25-17-10-8-9-16-18-15(11-13-22(18)2)14-24-19(16)17/h8-10,15,18H,3-7,11-14H2,1-2H3,(H,21,23)/t15-,18-/m0/s1
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PubMed
n/an/a 20.3n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 47: 5945-52 (2004)


Article DOI: 10.1021/jm049782n
BindingDB Entry DOI: 10.7270/Q2668BD3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10952
PNG
((2S,6R)-3-methyl-3-azatricyclo[7.4.0.0^{2,6}]tride...)
Show SMILES [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NC)c1CC2 |r|
Show InChI InChI=1S/C15H20N2O2/c1-16-15(18)19-13-5-3-4-12-11(13)7-6-10-8-9-17(2)14(10)12/h3-5,10,14H,6-9H2,1-2H3,(H,16,18)/t10-,14+/m1/s1
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PubMed
n/an/a 24.5n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 47: 5945-52 (2004)


Article DOI: 10.1021/jm049782n
BindingDB Entry DOI: 10.7270/Q2668BD3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10951
PNG
((2S,6R)-3-methyl-8-oxa-3-azatricyclo[7.4.0.0^{2,6}...)
Show SMILES [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NC)c1OC2 |r|
Show InChI InChI=1S/C14H18N2O3/c1-15-14(17)19-11-5-3-4-10-12-9(6-7-16(12)2)8-18-13(10)11/h3-5,9,12H,6-8H2,1-2H3,(H,15,17)/t9-,12-/m0/s1
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n/an/a 30n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 47: 5945-52 (2004)


Article DOI: 10.1021/jm049782n
BindingDB Entry DOI: 10.7270/Q2668BD3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10957
PNG
((2S,6R)-3-methyl-3-azatricyclo[7.4.0.0^{2,6}]tride...)
Show SMILES [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NCC)c1CC2 |r|
Show InChI InChI=1S/C16H22N2O2/c1-3-17-16(19)20-14-6-4-5-13-12(14)8-7-11-9-10-18(2)15(11)13/h4-6,11,15H,3,7-10H2,1-2H3,(H,17,19)/t11-,15+/m1/s1
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PubMed
n/an/a 30.3n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 47: 5945-52 (2004)


Article DOI: 10.1021/jm049782n
BindingDB Entry DOI: 10.7270/Q2668BD3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10956
PNG
((2S,6R)-3-methyl-8-oxa-3-azatricyclo[7.4.0.0^{2,6}...)
Show SMILES [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NCC)c1OC2 |r|
Show InChI InChI=1S/C15H20N2O3/c1-3-16-15(18)20-12-6-4-5-11-13-10(7-8-17(13)2)9-19-14(11)12/h4-6,10,13H,3,7-9H2,1-2H3,(H,16,18)/t10-,13-/m0/s1
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PubMed
n/an/a 44.4n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 47: 5945-52 (2004)


Article DOI: 10.1021/jm049782n
BindingDB Entry DOI: 10.7270/Q2668BD3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10951
PNG
((2S,6R)-3-methyl-8-oxa-3-azatricyclo[7.4.0.0^{2,6}...)
Show SMILES [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NC)c1OC2 |r|
Show InChI InChI=1S/C14H18N2O3/c1-15-14(17)19-11-5-3-4-10-12-9(6-7-16(12)2)8-18-13(10)11/h3-5,9,12H,6-8H2,1-2H3,(H,15,17)/t9-,12-/m0/s1
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PubMed
n/an/a 59.4n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 47: 5945-52 (2004)


Article DOI: 10.1021/jm049782n
BindingDB Entry DOI: 10.7270/Q2668BD3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10950
PNG
(3-[1-(dimethylamino)ethyl]phenyl N-methylcarbamate...)
Show SMILES CNC(=O)Oc1cccc(c1)C(C)N(C)C
Show InChI InChI=1S/C12H18N2O2/c1-9(14(3)4)10-6-5-7-11(8-10)16-12(15)13-2/h5-9H,1-4H3,(H,13,15)
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n/an/a 100n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 47: 5945-52 (2004)


Article DOI: 10.1021/jm049782n
BindingDB Entry DOI: 10.7270/Q2668BD3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10954
PNG
((2S,6R)-3-methyl-8-oxa-3-azatricyclo[7.4.0.0^{2,6}...)
Show SMILES [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NC(C)c3ccccc3)c1OC2 |r|
Show InChI InChI=1S/C21H24N2O3/c1-14(15-7-4-3-5-8-15)22-21(24)26-18-10-6-9-17-19-16(11-12-23(19)2)13-25-20(17)18/h3-10,14,16,19H,11-13H2,1-2H3,(H,22,24)/t14?,16-,19-/m0/s1
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n/an/a 209n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 47: 5945-52 (2004)


Article DOI: 10.1021/jm049782n
BindingDB Entry DOI: 10.7270/Q2668BD3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 301n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 47: 5945-52 (2004)


Article DOI: 10.1021/jm049782n
BindingDB Entry DOI: 10.7270/Q2668BD3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10957
PNG
((2S,6R)-3-methyl-3-azatricyclo[7.4.0.0^{2,6}]tride...)
Show SMILES [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NCC)c1CC2 |r|
Show InChI InChI=1S/C16H22N2O2/c1-3-17-16(19)20-14-6-4-5-13-12(14)8-7-11-9-10-18(2)15(11)13/h4-6,11,15H,3,7-10H2,1-2H3,(H,17,19)/t11-,15+/m1/s1
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n/an/a 393n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 47: 5945-52 (2004)


Article DOI: 10.1021/jm049782n
BindingDB Entry DOI: 10.7270/Q2668BD3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10950
PNG
(3-[1-(dimethylamino)ethyl]phenyl N-methylcarbamate...)
Show SMILES CNC(=O)Oc1cccc(c1)C(C)N(C)C
Show InChI InChI=1S/C12H18N2O2/c1-9(14(3)4)10-6-5-7-11(8-10)16-12(15)13-2/h5-9H,1-4H3,(H,13,15)
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n/an/a 406n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 47: 5945-52 (2004)


Article DOI: 10.1021/jm049782n
BindingDB Entry DOI: 10.7270/Q2668BD3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10956
PNG
((2S,6R)-3-methyl-8-oxa-3-azatricyclo[7.4.0.0^{2,6}...)
Show SMILES [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NCC)c1OC2 |r|
Show InChI InChI=1S/C15H20N2O3/c1-3-16-15(18)20-12-6-4-5-11-13-10(7-8-17(13)2)9-19-14(11)12/h4-6,10,13H,3,7-9H2,1-2H3,(H,16,18)/t10-,13-/m0/s1
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n/an/a 420n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 47: 5945-52 (2004)


Article DOI: 10.1021/jm049782n
BindingDB Entry DOI: 10.7270/Q2668BD3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.54E+3n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 47: 5945-52 (2004)


Article DOI: 10.1021/jm049782n
BindingDB Entry DOI: 10.7270/Q2668BD3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10954
PNG
((2S,6R)-3-methyl-8-oxa-3-azatricyclo[7.4.0.0^{2,6}...)
Show SMILES [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NC(C)c3ccccc3)c1OC2 |r|
Show InChI InChI=1S/C21H24N2O3/c1-14(15-7-4-3-5-8-15)22-21(24)26-18-10-6-9-17-19-16(11-12-23(19)2)13-25-20(17)18/h3-10,14,16,19H,11-13H2,1-2H3,(H,22,24)/t14?,16-,19-/m0/s1
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PubMed
n/an/a 1.87E+3n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 47: 5945-52 (2004)


Article DOI: 10.1021/jm049782n
BindingDB Entry DOI: 10.7270/Q2668BD3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%