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PubMed code 26077890

Compile data set for download or QSAR
Found 33 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))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
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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PubMed
n/an/a 1.11E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM170151
PNG
(10-((1-((3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl)...)
Show SMILES COc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4ccccc34)nn2)n1
Show InChI InChI=1S/C26H20N6O3/c1-34-19-12-10-17(11-13-19)26-27-24(35-29-26)16-31-14-18(28-30-31)15-32-22-8-4-2-6-20(22)25(33)21-7-3-5-9-23(21)32/h2-14H,15-16H2,1H3
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n/an/a 1.16E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM170152
PNG
(10-((1-((3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)m...)
Show SMILES Clc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4ccccc34)nn2)n1
Show InChI InChI=1S/C25H17ClN6O2/c26-17-11-9-16(10-12-17)25-27-23(34-29-25)15-31-13-18(28-30-31)14-32-21-7-3-1-5-19(21)24(33)20-6-2-4-8-22(20)32/h1-13H,14-15H2
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n/an/a 2.47E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM170163
PNG
(2-Chloro-10-((1-((3-(4-chlorophenyl)-1,2,4-oxadiaz...)
Show SMILES Clc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Cl)ccc34)nn2)n1
Show InChI InChI=1S/C25H16Cl2N6O2/c26-16-7-5-15(6-8-16)25-28-23(35-30-25)14-32-12-18(29-31-32)13-33-21-4-2-1-3-19(21)24(34)20-11-17(27)9-10-22(20)33/h1-12H,13-14H2
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n/an/a 4.49E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM170150
PNG
(10-((1-((3-(p-Tolyl)-1,2,4-oxadiazol-5-yl)methyl)-...)
Show SMILES Cc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4ccccc34)nn2)n1
Show InChI InChI=1S/C26H20N6O2/c1-17-10-12-18(13-11-17)26-27-24(34-29-26)16-31-14-19(28-30-31)15-32-22-8-4-2-6-20(22)25(33)21-7-3-5-9-23(21)32/h2-14H,15-16H2,1H3
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n/an/a 4.90E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM170153
PNG
(10-((1-((3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl)me...)
Show SMILES Brc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4ccccc34)nn2)n1
Show InChI InChI=1S/C25H17BrN6O2/c26-17-11-9-16(10-12-17)25-27-23(34-29-25)15-31-13-18(28-30-31)14-32-21-7-3-1-5-19(21)24(33)20-6-2-4-8-22(20)32/h1-13H,14-15H2
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n/an/a 6.74E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM170160
PNG
(10-((1-((3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)m...)
Show SMILES COc1ccc2n(Cc3cn(Cc4nc(no4)-c4ccc(Cl)cc4)nn3)c3ccccc3c(=O)c2c1
Show InChI InChI=1S/C26H19ClN6O3/c1-35-19-10-11-23-21(12-19)25(34)20-4-2-3-5-22(20)33(23)14-18-13-32(31-29-18)15-24-28-26(30-36-24)16-6-8-17(27)9-7-16/h2-13H,14-15H2,1H3
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n/an/a 7.78E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM170152
PNG
(10-((1-((3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)m...)
Show SMILES Clc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4ccccc34)nn2)n1
Show InChI InChI=1S/C25H17ClN6O2/c26-17-11-9-16(10-12-17)25-27-23(34-29-25)15-31-13-18(28-30-31)14-32-21-7-3-1-5-19(21)24(33)20-6-2-4-8-22(20)32/h1-13H,14-15H2
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n/an/a 8.89E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM170161
PNG
(2-Chloro-10-((1-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl...)
Show SMILES Cc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Cl)ccc34)nn2)n1
Show InChI InChI=1S/C26H19ClN6O2/c1-16-6-8-17(9-7-16)26-28-24(35-30-26)15-32-13-19(29-31-32)14-33-22-5-3-2-4-20(22)25(34)21-12-18(27)10-11-23(21)33/h2-13H,14-15H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM170155
PNG
(4-Methoxy-10-((1-((3-(4-methoxyphenyl)-1,2,4-oxadi...)
Show SMILES COc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cccc(OC)c34)nn2)n1
Show InChI InChI=1S/C27H22N6O4/c1-35-19-12-10-17(11-13-19)27-28-24(37-30-27)16-32-14-18(29-31-32)15-33-22-8-4-3-6-20(22)26(34)21-7-5-9-23(36-2)25(21)33/h3-14H,15-16H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM170161
PNG
(2-Chloro-10-((1-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl...)
Show SMILES Cc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Cl)ccc34)nn2)n1
Show InChI InChI=1S/C26H19ClN6O2/c1-16-6-8-17(9-7-16)26-28-24(35-30-26)15-32-13-19(29-31-32)14-33-22-5-3-2-4-20(22)25(34)21-12-18(27)10-11-23(21)33/h2-13H,14-15H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM170154
PNG
(4-Methoxy-10-((1-((3-(p-tolyl)-1,2,4-oxadiazol-5-y...)
Show SMILES COc1cccc2c1n(Cc1cn(Cc3nc(no3)-c3ccc(C)cc3)nn1)c1ccccc1c2=O
Show InChI InChI=1S/C27H22N6O3/c1-17-10-12-18(13-11-17)27-28-24(36-30-27)16-32-14-19(29-31-32)15-33-22-8-4-3-6-20(22)26(34)21-7-5-9-23(35-2)25(21)33/h3-14H,15-16H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM170164
PNG
(2-Bromo-10-((1-((3-(4-methoxyphenyl)-1,2,4-oxadiaz...)
Show SMILES COc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Br)ccc34)nn2)n1
Show InChI InChI=1S/C26H19BrN6O3/c1-35-19-9-6-16(7-10-19)26-28-24(36-30-26)15-32-13-18(29-31-32)14-33-22-5-3-2-4-20(22)25(34)21-12-17(27)8-11-23(21)33/h2-13H,14-15H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM170151
PNG
(10-((1-((3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl)...)
Show SMILES COc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4ccccc34)nn2)n1
Show InChI InChI=1S/C26H20N6O3/c1-34-19-12-10-17(11-13-19)26-27-24(35-29-26)16-31-14-18(28-30-31)15-32-22-8-4-2-6-20(22)25(33)21-7-3-5-9-23(21)32/h2-14H,15-16H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM170159
PNG
(2-Methoxy-10-((1-((3-(4-methoxyphenyl)-1,2,4-oxadi...)
Show SMILES COc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(OC)ccc34)nn2)n1
Show InChI InChI=1S/C27H22N6O4/c1-35-19-9-7-17(8-10-19)27-28-25(37-30-27)16-32-14-18(29-31-32)15-33-23-6-4-3-5-21(23)26(34)22-13-20(36-2)11-12-24(22)33/h3-14H,15-16H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM170162
PNG
(2-Chloro-10-((1-((3-(4-methoxyphenyl)-1,2,4-oxadia...)
Show SMILES COc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Cl)ccc34)nn2)n1
Show InChI InChI=1S/C26H19ClN6O3/c1-35-19-9-6-16(7-10-19)26-28-24(36-30-26)15-32-13-18(29-31-32)14-33-22-5-3-2-4-20(22)25(34)21-12-17(27)8-11-23(21)33/h2-13H,14-15H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM170153
PNG
(10-((1-((3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl)me...)
Show SMILES Brc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4ccccc34)nn2)n1
Show InChI InChI=1S/C25H17BrN6O2/c26-17-11-9-16(10-12-17)25-27-23(34-29-25)15-31-13-18(28-30-31)14-32-21-7-3-1-5-19(21)24(33)20-6-2-4-8-22(20)32/h1-13H,14-15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM170154
PNG
(4-Methoxy-10-((1-((3-(p-tolyl)-1,2,4-oxadiazol-5-y...)
Show SMILES COc1cccc2c1n(Cc1cn(Cc3nc(no3)-c3ccc(C)cc3)nn1)c1ccccc1c2=O
Show InChI InChI=1S/C27H22N6O3/c1-17-10-12-18(13-11-17)27-28-24(36-30-27)16-32-14-19(29-31-32)15-33-22-8-4-3-6-20(22)26(34)21-7-5-9-23(35-2)25(21)33/h3-14H,15-16H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM170156
PNG
(4-Chloro-10-((1-((3-(4-methoxyphenyl)-1,2,4-oxadia...)
Show SMILES COc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cccc(Cl)c34)nn2)n1
Show InChI InChI=1S/C26H19ClN6O3/c1-35-18-11-9-16(10-12-18)26-28-23(36-30-26)15-32-13-17(29-31-32)14-33-22-8-3-2-5-19(22)25(34)20-6-4-7-21(27)24(20)33/h2-13H,14-15H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM170160
PNG
(10-((1-((3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)m...)
Show SMILES COc1ccc2n(Cc3cn(Cc4nc(no4)-c4ccc(Cl)cc4)nn3)c3ccccc3c(=O)c2c1
Show InChI InChI=1S/C26H19ClN6O3/c1-35-19-10-11-23-21(12-19)25(34)20-4-2-3-5-22(20)33(23)14-18-13-32(31-29-18)15-24-28-26(30-36-24)16-6-8-17(27)9-7-16/h2-13H,14-15H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM170165
PNG
(2-Bromo-10-((1-((3-(4-chlorophenyl)-1,2,4-oxadiazo...)
Show SMILES Clc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Br)ccc34)nn2)n1
Show InChI InChI=1S/C25H16BrClN6O2/c26-16-7-10-22-20(11-16)24(34)19-3-1-2-4-21(19)33(22)13-18-12-32(31-29-18)14-23-28-25(30-35-23)15-5-8-17(27)9-6-15/h1-12H,13-14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM170156
PNG
(4-Chloro-10-((1-((3-(4-methoxyphenyl)-1,2,4-oxadia...)
Show SMILES COc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cccc(Cl)c34)nn2)n1
Show InChI InChI=1S/C26H19ClN6O3/c1-35-18-11-9-16(10-12-18)26-28-23(36-30-26)15-32-13-17(29-31-32)14-33-22-8-3-2-5-19(22)25(34)20-6-4-7-21(27)24(20)33/h2-13H,14-15H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM170158
PNG
(2-Methoxy-10-((1-((3-(p-tolyl)-1,2,4-oxadiazol-5-y...)
Show SMILES COc1ccc2n(Cc3cn(Cc4nc(no4)-c4ccc(C)cc4)nn3)c3ccccc3c(=O)c2c1
Show InChI InChI=1S/C27H22N6O3/c1-17-7-9-18(10-8-17)27-28-25(36-30-27)16-32-14-19(29-31-32)15-33-23-6-4-3-5-21(23)26(34)22-13-20(35-2)11-12-24(22)33/h3-14H,15-16H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM170157
PNG
(10-((1-((3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)m...)
Show SMILES Cc1ccc2n(Cc3cn(Cc4nc(no4)-c4ccc(Cl)cc4)nn3)c3ccccc3c(=O)c2c1
Show InChI InChI=1S/C26H19ClN6O2/c1-16-6-11-23-21(12-16)25(34)20-4-2-3-5-22(20)33(23)14-19-13-32(31-29-19)15-24-28-26(30-35-24)17-7-9-18(27)10-8-17/h2-13H,14-15H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM170158
PNG
(2-Methoxy-10-((1-((3-(p-tolyl)-1,2,4-oxadiazol-5-y...)
Show SMILES COc1ccc2n(Cc3cn(Cc4nc(no4)-c4ccc(C)cc4)nn3)c3ccccc3c(=O)c2c1
Show InChI InChI=1S/C27H22N6O3/c1-17-7-9-18(10-8-17)27-28-25(36-30-27)16-32-14-19(29-31-32)15-33-23-6-4-3-5-21(23)26(34)22-13-20(35-2)11-12-24(22)33/h3-14H,15-16H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM170159
PNG
(2-Methoxy-10-((1-((3-(4-methoxyphenyl)-1,2,4-oxadi...)
Show SMILES COc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(OC)ccc34)nn2)n1
Show InChI InChI=1S/C27H22N6O4/c1-35-19-9-7-17(8-10-19)27-28-25(37-30-27)16-32-14-18(29-31-32)15-33-23-6-4-3-5-21(23)26(34)22-13-20(36-2)11-12-24(22)33/h3-14H,15-16H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM170150
PNG
(10-((1-((3-(p-Tolyl)-1,2,4-oxadiazol-5-yl)methyl)-...)
Show SMILES Cc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4ccccc34)nn2)n1
Show InChI InChI=1S/C26H20N6O2/c1-17-10-12-18(13-11-17)26-27-24(34-29-26)16-31-14-19(28-30-31)15-32-22-8-4-2-6-20(22)25(33)21-7-3-5-9-23(21)32/h2-14H,15-16H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM170162
PNG
(2-Chloro-10-((1-((3-(4-methoxyphenyl)-1,2,4-oxadia...)
Show SMILES COc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Cl)ccc34)nn2)n1
Show InChI InChI=1S/C26H19ClN6O3/c1-35-19-9-6-16(7-10-19)26-28-24(36-30-26)15-32-13-18(29-31-32)14-33-22-5-3-2-4-20(22)25(34)21-12-17(27)8-11-23(21)33/h2-13H,14-15H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM170164
PNG
(2-Bromo-10-((1-((3-(4-methoxyphenyl)-1,2,4-oxadiaz...)
Show SMILES COc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Br)ccc34)nn2)n1
Show InChI InChI=1S/C26H19BrN6O3/c1-35-19-9-6-16(7-10-19)26-28-24(36-30-26)15-32-13-18(29-31-32)14-33-22-5-3-2-4-20(22)25(34)21-12-17(27)8-11-23(21)33/h2-13H,14-15H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM170157
PNG
(10-((1-((3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)m...)
Show SMILES Cc1ccc2n(Cc3cn(Cc4nc(no4)-c4ccc(Cl)cc4)nn3)c3ccccc3c(=O)c2c1
Show InChI InChI=1S/C26H19ClN6O2/c1-16-6-11-23-21(12-16)25(34)20-4-2-3-5-22(20)33(23)14-19-13-32(31-29-19)15-24-28-26(30-35-24)17-7-9-18(27)10-8-17/h2-13H,14-15H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM170155
PNG
(4-Methoxy-10-((1-((3-(4-methoxyphenyl)-1,2,4-oxadi...)
Show SMILES COc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cccc(OC)c34)nn2)n1
Show InChI InChI=1S/C27H22N6O4/c1-35-19-12-10-17(11-13-19)27-28-24(37-30-27)16-32-14-18(29-31-32)15-33-22-8-4-3-6-20(22)26(34)21-7-5-9-23(36-2)25(21)33/h3-14H,15-16H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM170163
PNG
(2-Chloro-10-((1-((3-(4-chlorophenyl)-1,2,4-oxadiaz...)
Show SMILES Clc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Cl)ccc34)nn2)n1
Show InChI InChI=1S/C25H16Cl2N6O2/c26-16-7-5-15(6-8-16)25-28-23(35-30-25)14-32-12-18(29-31-32)13-33-21-4-2-1-3-19(21)24(34)20-11-17(27)9-10-22(20)33/h1-12H,13-14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM170165
PNG
(2-Bromo-10-((1-((3-(4-chlorophenyl)-1,2,4-oxadiazo...)
Show SMILES Clc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Br)ccc34)nn2)n1
Show InChI InChI=1S/C25H16BrClN6O2/c26-16-7-10-22-20(11-16)24(34)19-3-1-2-4-21(19)33(22)13-18-12-32(31-29-18)14-23-28-25(30-35-23)15-5-8-17(27)9-6-15/h1-12H,13-14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences



Assay Description
To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...


Chem Biol Drug Des 86: 1425-32 (2015)


Article DOI: 10.1111/cbdd.12609
BindingDB Entry DOI: 10.7270/Q2SN07QM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%