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PubMed code 27434226

Compile data set for download or QSAR
Found 140 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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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PubMed
n/an/a 5.90n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 32n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203833
PNG
(2-(2-Bromo-3,4,5-trimethoxy-benzylidene)-4-methyl-...)
Show SMILES COc1cc(\C=C2/CC(C)c3ccccc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C21H21BrO4/c1-12-9-14(19(23)16-8-6-5-7-15(12)16)10-13-11-17(24-2)20(25-3)21(26-4)18(13)22/h5-8,10-12H,9H2,1-4H3/b14-10+
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n/an/a 45n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 47n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
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 59n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203832
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc(\C=C2/CC(C)c3ccccc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C20H19ClO3/c1-12-10-14(19(22)16-7-5-4-6-15(12)16)11-13-8-9-17(23-2)20(24-3)18(13)21/h4-9,11-12H,10H2,1-3H3/b14-11+
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n/an/a 120n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 120n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203851
PNG
(2-(2-Bromo-3,4,5-trimethoxy-benzylidene)-5,8-dimet...)
Show SMILES COc1ccc(OC)c2C(=O)\C(CCc12)=C\c1cc(OC)c(OC)c(OC)c1Br
Show InChI InChI=1S/C22H23BrO6/c1-25-15-8-9-16(26-2)18-14(15)7-6-12(20(18)24)10-13-11-17(27-3)21(28-4)22(29-5)19(13)23/h8-11H,6-7H2,1-5H3/b12-10+
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n/an/a 270n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203860
PNG
(2-(2-Bromo-3,4,5-trimethoxy-benzylidene)-7-nitro-t...)
Show SMILES COc1cc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H18BrNO6/c1-26-16-9-13(17(21)20(28-3)19(16)27-2)8-12-5-4-11-6-7-14(22(24)25)10-15(11)18(12)23/h6-10H,4-5H2,1-3H3/b12-8+
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n/an/a 570n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203833
PNG
(2-(2-Bromo-3,4,5-trimethoxy-benzylidene)-4-methyl-...)
Show SMILES COc1cc(\C=C2/CC(C)c3ccccc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C21H21BrO4/c1-12-9-14(19(23)16-8-6-5-7-15(12)16)10-13-11-17(24-2)20(25-3)21(26-4)18(13)22/h5-8,10-12H,9H2,1-4H3/b14-10+
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n/an/a 880n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203860
PNG
(2-(2-Bromo-3,4,5-trimethoxy-benzylidene)-7-nitro-t...)
Show SMILES COc1cc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H18BrNO6/c1-26-16-9-13(17(21)20(28-3)19(16)27-2)8-12-5-4-11-6-7-14(22(24)25)10-15(11)18(12)23/h6-10H,4-5H2,1-3H3/b12-8+
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n/an/a 910n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203833
PNG
(2-(2-Bromo-3,4,5-trimethoxy-benzylidene)-4-methyl-...)
Show SMILES COc1cc(\C=C2/CC(C)c3ccccc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C21H21BrO4/c1-12-9-14(19(23)16-8-6-5-7-15(12)16)10-13-11-17(24-2)20(25-3)21(26-4)18(13)22/h5-8,10-12H,9H2,1-4H3/b14-10+
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n/an/a 920n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203860
PNG
(2-(2-Bromo-3,4,5-trimethoxy-benzylidene)-7-nitro-t...)
Show SMILES COc1cc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H18BrNO6/c1-26-16-9-13(17(21)20(28-3)19(16)27-2)8-12-5-4-11-6-7-14(22(24)25)10-15(11)18(12)23/h6-10H,4-5H2,1-3H3/b12-8+
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n/an/a 990n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203857
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc(\C=C2/CCc3ccc(F)cc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H18BrFO4/c1-24-16-9-13(17(21)20(26-3)19(16)25-2)8-12-5-4-11-6-7-14(22)10-15(11)18(12)23/h6-10H,4-5H2,1-3H3/b12-8+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203842
PNG
(2-(2-Bromo-3,4,5-trimethoxy-benzylidene)-6-methoxy...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1cc(OC)c(OC)c(OC)c1Br
Show InChI InChI=1S/C21H21BrO5/c1-24-15-7-8-16-12(10-15)5-6-13(19(16)23)9-14-11-17(25-2)20(26-3)21(27-4)18(14)22/h7-11H,5-6H2,1-4H3/b13-9+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203859
PNG
(2-(2-Chloro-3,4-dimethoxy-benzylidene)-7-nitro-tet...)
Show SMILES COc1ccc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c(Cl)c1OC
Show InChI InChI=1S/C19H16ClNO5/c1-25-16-8-6-12(17(20)19(16)26-2)9-13-4-3-11-5-7-14(21(23)24)10-15(11)18(13)22/h5-10H,3-4H2,1-2H3/b13-9+
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n/an/a 1.24E+3n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203832
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc(\C=C2/CC(C)c3ccccc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C20H19ClO3/c1-12-10-14(19(22)16-7-5-4-6-15(12)16)11-13-8-9-17(23-2)20(24-3)18(13)21/h4-9,11-12H,10H2,1-3H3/b14-11+
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n/an/a 1.90E+3n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203831
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-4-m...)
Show SMILES COc1cccc(\C=C2/CC(C)c3ccccc3C2=O)c1Cl
Show InChI InChI=1S/C19H17ClO2/c1-12-10-14(19(21)16-8-4-3-7-15(12)16)11-13-6-5-9-17(22-2)18(13)20/h3-9,11-12H,10H2,1-2H3/b14-11+
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n/an/a 1.90E+3n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203850
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc(OC)c2C(=O)\C(CCc12)=C\c1ccc(OC)c(OC)c1Cl
Show InChI InChI=1S/C21H21ClO5/c1-24-15-9-10-16(25-2)18-14(15)7-5-13(20(18)23)11-12-6-8-17(26-3)21(27-4)19(12)22/h6,8-11H,5,7H2,1-4H3/b13-11+
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n/an/a 2.40E+3n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203856
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc(\C=C2/CCc3ccc(F)cc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C19H16ClFO3/c1-23-16-8-6-12(17(20)19(16)24-2)9-13-4-3-11-5-7-14(21)10-15(11)18(13)22/h5-10H,3-4H2,1-2H3/b13-9+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203848
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc2CC\C(=C/c3cc(OC)c(OC)c(OC)c3Br)C(=O)c2cc1OC
Show InChI InChI=1S/C22H23BrO6/c1-25-16-9-12-6-7-13(20(24)15(12)11-17(16)26-2)8-14-10-18(27-3)21(28-4)22(29-5)19(14)23/h8-11H,6-7H2,1-5H3/b13-8+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203859
PNG
(2-(2-Chloro-3,4-dimethoxy-benzylidene)-7-nitro-tet...)
Show SMILES COc1ccc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c(Cl)c1OC
Show InChI InChI=1S/C19H16ClNO5/c1-25-16-8-6-12(17(20)19(16)26-2)9-13-4-3-11-5-7-14(21(23)24)10-15(11)18(13)22/h5-10H,3-4H2,1-2H3/b13-9+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203859
PNG
(2-(2-Chloro-3,4-dimethoxy-benzylidene)-7-nitro-tet...)
Show SMILES COc1ccc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c(Cl)c1OC
Show InChI InChI=1S/C19H16ClNO5/c1-25-16-8-6-12(17(20)19(16)26-2)9-13-4-3-11-5-7-14(21(23)24)10-15(11)18(13)22/h5-10H,3-4H2,1-2H3/b13-9+
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n/an/a 2.92E+3n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203831
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-4-m...)
Show SMILES COc1cccc(\C=C2/CC(C)c3ccccc3C2=O)c1Cl
Show InChI InChI=1S/C19H17ClO2/c1-12-10-14(19(21)16-8-4-3-7-15(12)16)11-13-6-5-9-17(22-2)18(13)20/h3-9,11-12H,10H2,1-2H3/b14-11+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203848
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc2CC\C(=C/c3cc(OC)c(OC)c(OC)c3Br)C(=O)c2cc1OC
Show InChI InChI=1S/C22H23BrO6/c1-25-16-9-12-6-7-13(20(24)15(12)11-17(16)26-2)8-14-10-18(27-3)21(28-4)22(29-5)19(14)23/h8-11H,6-7H2,1-5H3/b13-8+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203847
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1cc2CC\C(=C/c3ccc(OC)c(OC)c3Cl)C(=O)c2cc1OC
Show InChI InChI=1S/C21H21ClO5/c1-24-16-8-7-13(19(22)21(16)27-4)9-14-6-5-12-10-17(25-2)18(26-3)11-15(12)20(14)23/h7-11H,5-6H2,1-4H3/b14-9+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203830
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc(\C=C2/CCc3ccccc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H19BrO4/c1-23-16-11-14(17(21)20(25-3)19(16)24-2)10-13-9-8-12-6-4-5-7-15(12)18(13)22/h4-7,10-11H,8-9H2,1-3H3/b13-10+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203860
PNG
(2-(2-Bromo-3,4,5-trimethoxy-benzylidene)-7-nitro-t...)
Show SMILES COc1cc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H18BrNO6/c1-26-16-9-13(17(21)20(28-3)19(16)27-2)8-12-5-4-11-6-7-14(22(24)25)10-15(11)18(12)23/h6-10H,4-5H2,1-3H3/b12-8+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203858
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-7-n...)
Show SMILES COc1cccc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c1Cl
Show InChI InChI=1S/C18H14ClNO4/c1-24-16-4-2-3-12(17(16)19)9-13-6-5-11-7-8-14(20(22)23)10-15(11)18(13)21/h2-4,7-10H,5-6H2,1H3/b13-9+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203855
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-7-f...)
Show SMILES COc1cccc(\C=C2/CCc3ccc(F)cc3C2=O)c1Cl
Show InChI InChI=1S/C18H14ClFO2/c1-22-16-4-2-3-12(17(16)19)9-13-6-5-11-7-8-14(20)10-15(11)18(13)21/h2-4,7-10H,5-6H2,1H3/b13-9+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203846
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-6,7...)
Show SMILES COc1cccc(\C=C2/CCc3cc(OC)c(OC)cc3C2=O)c1Cl
Show InChI InChI=1S/C20H19ClO4/c1-23-16-6-4-5-13(19(16)21)9-14-8-7-12-10-17(24-2)18(25-3)11-15(12)20(14)22/h4-6,9-11H,7-8H2,1-3H3/b14-9+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203858
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-7-n...)
Show SMILES COc1cccc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c1Cl
Show InChI InChI=1S/C18H14ClNO4/c1-24-16-4-2-3-12(17(16)19)9-13-6-5-11-7-8-14(20(22)23)10-15(11)18(13)21/h2-4,7-10H,5-6H2,1H3/b13-9+
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n/an/a 7.23E+3n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203832
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc(\C=C2/CC(C)c3ccccc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C20H19ClO3/c1-12-10-14(19(22)16-7-5-4-6-15(12)16)11-13-8-9-17(23-2)20(24-3)18(13)21/h4-9,11-12H,10H2,1-3H3/b14-11+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203858
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-7-n...)
Show SMILES COc1cccc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c1Cl
Show InChI InChI=1S/C18H14ClNO4/c1-24-16-4-2-3-12(17(16)19)9-13-6-5-11-7-8-14(20(22)23)10-15(11)18(13)21/h2-4,7-10H,5-6H2,1H3/b13-9+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203829
PNG
((2E)-2-[(3,4-dimethoxy-2-methylphenyl)methylidene]...)
Show SMILES COc1ccc(\C=C2/CCc3ccccc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C20H20O3/c1-13-15(10-11-18(22-2)20(13)23-3)12-16-9-8-14-6-4-5-7-17(14)19(16)21/h4-7,10-12H,8-9H2,1-3H3/b16-12+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203851
PNG
(2-(2-Bromo-3,4,5-trimethoxy-benzylidene)-5,8-dimet...)
Show SMILES COc1ccc(OC)c2C(=O)\C(CCc12)=C\c1cc(OC)c(OC)c(OC)c1Br
Show InChI InChI=1S/C22H23BrO6/c1-25-15-8-9-16(26-2)18-14(15)7-6-12(20(18)24)10-13-11-17(27-3)21(28-4)22(29-5)19(13)23/h8-11H,6-7H2,1-5H3/b12-10+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203831
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-4-m...)
Show SMILES COc1cccc(\C=C2/CC(C)c3ccccc3C2=O)c1Cl
Show InChI InChI=1S/C19H17ClO2/c1-12-10-14(19(21)16-8-4-3-7-15(12)16)11-13-6-5-9-17(22-2)18(13)20/h3-9,11-12H,10H2,1-2H3/b14-11+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203857
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc(\C=C2/CCc3ccc(F)cc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H18BrFO4/c1-24-16-9-13(17(21)20(26-3)19(16)25-2)8-12-5-4-11-6-7-14(22)10-15(11)18(12)23/h6-10H,4-5H2,1-3H3/b12-8+
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n/an/a 1.09E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203830
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc(\C=C2/CCc3ccccc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H19BrO4/c1-23-16-11-14(17(21)20(25-3)19(16)24-2)10-13-9-8-12-6-4-5-7-15(12)18(13)22/h4-7,10-11H,8-9H2,1-3H3/b13-10+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203842
PNG
(2-(2-Bromo-3,4,5-trimethoxy-benzylidene)-6-methoxy...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1cc(OC)c(OC)c(OC)c1Br
Show InChI InChI=1S/C21H21BrO5/c1-24-15-7-8-16-12(10-15)5-6-13(19(16)23)9-14-11-17(25-2)20(26-3)21(27-4)18(14)22/h7-11H,5-6H2,1-4H3/b13-9+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203833
PNG
(2-(2-Bromo-3,4,5-trimethoxy-benzylidene)-4-methyl-...)
Show SMILES COc1cc(\C=C2/CC(C)c3ccccc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C21H21BrO4/c1-12-9-14(19(23)16-8-6-5-7-15(12)16)10-13-11-17(24-2)20(25-3)21(26-4)18(13)22/h5-8,10-12H,9H2,1-4H3/b14-10+
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n/an/a 1.25E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203828
PNG
((2E)-2-[(3-methoxy-2-methylphenyl)methylidene]-1,2...)
Show SMILES COc1cccc(\C=C2/CCc3ccccc3C2=O)c1Cl
Show InChI InChI=1S/C19H18O2/c1-13-15(7-5-9-18(13)21-2)12-16-11-10-14-6-3-4-8-17(14)19(16)20/h3-9,12H,10-11H2,1-2H3/b16-12+
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n/an/a 1.32E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203849
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-5,8...)
Show SMILES COc1cccc(\C=C2/CCc3c(OC)ccc(OC)c3C2=O)c1Cl
Show InChI InChI=1S/C20H19ClO4/c1-23-15-9-10-16(24-2)18-14(15)8-7-13(20(18)22)11-12-5-4-6-17(25-3)19(12)21/h4-6,9-11H,7-8H2,1-3H3/b13-11+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203841
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccc(OC)c(OC)c1Cl
Show InChI InChI=1S/C20H19ClO4/c1-23-15-7-8-16-12(11-15)4-5-14(19(16)22)10-13-6-9-17(24-2)20(25-3)18(13)21/h6-11H,4-5H2,1-3H3/b14-10+
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n/an/a 1.46E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203829
PNG
((2E)-2-[(3,4-dimethoxy-2-methylphenyl)methylidene]...)
Show SMILES COc1ccc(\C=C2/CCc3ccccc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C20H20O3/c1-13-15(10-11-18(22-2)20(13)23-3)12-16-9-8-14-6-4-5-7-17(14)19(16)21/h4-7,10-12H,8-9H2,1-3H3/b16-12+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203856
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc(\C=C2/CCc3ccc(F)cc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C19H16ClFO3/c1-23-16-8-6-12(17(20)19(16)24-2)9-13-4-3-11-5-7-14(21)10-15(11)18(13)22/h5-10H,3-4H2,1-2H3/b13-9+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203842
PNG
(2-(2-Bromo-3,4,5-trimethoxy-benzylidene)-6-methoxy...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1cc(OC)c(OC)c(OC)c1Br
Show InChI InChI=1S/C21H21BrO5/c1-24-15-7-8-16-12(10-15)5-6-13(19(16)23)9-14-11-17(25-2)20(26-3)21(27-4)18(14)22/h7-11H,5-6H2,1-4H3/b13-9+
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n/an/a 1.75E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203859
PNG
(2-(2-Chloro-3,4-dimethoxy-benzylidene)-7-nitro-tet...)
Show SMILES COc1ccc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c(Cl)c1OC
Show InChI InChI=1S/C19H16ClNO5/c1-25-16-8-6-12(17(20)19(16)26-2)9-13-4-3-11-5-7-14(21(23)24)10-15(11)18(13)22/h5-10H,3-4H2,1-2H3/b13-9+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
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 1.75E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203841
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccc(OC)c(OC)c1Cl
Show InChI InChI=1S/C20H19ClO4/c1-23-15-7-8-16-12(11-15)4-5-14(19(16)22)10-13-6-9-17(24-2)20(25-3)18(13)21/h6-11H,4-5H2,1-3H3/b14-10+
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n/an/a 1.92E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203855
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-7-f...)
Show SMILES COc1cccc(\C=C2/CCc3ccc(F)cc3C2=O)c1Cl
Show InChI InChI=1S/C18H14ClFO2/c1-22-16-4-2-3-12(17(16)19)9-13-6-5-11-7-8-14(20)10-15(11)18(13)21/h2-4,7-10H,5-6H2,1H3/b13-9+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203841
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccc(OC)c(OC)c1Cl
Show InChI InChI=1S/C20H19ClO4/c1-23-15-7-8-16-12(11-15)4-5-14(19(16)22)10-13-6-9-17(24-2)20(25-3)18(13)21/h6-11H,4-5H2,1-3H3/b14-10+
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n/an/a 2.29E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203850
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc(OC)c2C(=O)\C(CCc12)=C\c1ccc(OC)c(OC)c1Cl
Show InChI InChI=1S/C21H21ClO5/c1-24-15-9-10-16(25-2)18-14(15)7-5-13(20(18)23)11-12-6-8-17(26-3)21(27-4)19(12)22/h6,8-11H,5,7H2,1-4H3/b13-11+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203832
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc(\C=C2/CC(C)c3ccccc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C20H19ClO3/c1-12-10-14(19(22)16-7-5-4-6-15(12)16)11-13-8-9-17(23-2)20(24-3)18(13)21/h4-9,11-12H,10H2,1-3H3/b14-11+
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n/an/a 2.72E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203847
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1cc2CC\C(=C/c3ccc(OC)c(OC)c3Cl)C(=O)c2cc1OC
Show InChI InChI=1S/C21H21ClO5/c1-24-16-8-7-13(19(22)21(16)27-4)9-14-6-5-12-10-17(25-2)18(26-3)11-15(12)20(14)23/h7-11H,5-6H2,1-4H3/b14-9+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203830
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc(\C=C2/CCc3ccccc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H19BrO4/c1-23-16-11-14(17(21)20(25-3)19(16)24-2)10-13-9-8-12-6-4-5-7-15(12)18(13)22/h4-7,10-11H,8-9H2,1-3H3/b13-10+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203858
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-7-n...)
Show SMILES COc1cccc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c1Cl
Show InChI InChI=1S/C18H14ClNO4/c1-24-16-4-2-3-12(17(16)19)9-13-6-5-11-7-8-14(20(22)23)10-15(11)18(13)21/h2-4,7-10H,5-6H2,1H3/b13-9+
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n/an/a 2.79E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203846
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-6,7...)
Show SMILES COc1cccc(\C=C2/CCc3cc(OC)c(OC)cc3C2=O)c1Cl
Show InChI InChI=1S/C20H19ClO4/c1-23-16-6-4-5-13(19(16)21)9-14-8-7-12-10-17(24-2)18(25-3)11-15(12)20(14)22/h4-6,9-11H,7-8H2,1-3H3/b14-9+
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n/an/a 2.95E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203842
PNG
(2-(2-Bromo-3,4,5-trimethoxy-benzylidene)-6-methoxy...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1cc(OC)c(OC)c(OC)c1Br
Show InChI InChI=1S/C21H21BrO5/c1-24-15-7-8-16-12(10-15)5-6-13(19(16)23)9-14-11-17(25-2)20(26-3)21(27-4)18(14)22/h7-11H,5-6H2,1-4H3/b13-9+
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n/an/a 3.22E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203828
PNG
((2E)-2-[(3-methoxy-2-methylphenyl)methylidene]-1,2...)
Show SMILES COc1cccc(\C=C2/CCc3ccccc3C2=O)c1Cl
Show InChI InChI=1S/C19H18O2/c1-13-15(7-5-9-18(13)21-2)12-16-11-10-14-6-3-4-8-17(14)19(16)20/h3-9,12H,10-11H2,1-2H3/b16-12+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203829
PNG
((2E)-2-[(3,4-dimethoxy-2-methylphenyl)methylidene]...)
Show SMILES COc1ccc(\C=C2/CCc3ccccc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C20H20O3/c1-13-15(10-11-18(22-2)20(13)23-3)12-16-9-8-14-6-4-5-7-17(14)19(16)21/h4-7,10-12H,8-9H2,1-3H3/b16-12+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203836
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc(\C=C2/CCc3c(O)cccc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H19BrO5/c1-24-16-10-12(17(21)20(26-3)19(16)25-2)9-11-7-8-13-14(18(11)23)5-4-6-15(13)22/h4-6,9-10,22H,7-8H2,1-3H3/b11-9+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203828
PNG
((2E)-2-[(3-methoxy-2-methylphenyl)methylidene]-1,2...)
Show SMILES COc1cccc(\C=C2/CCc3ccccc3C2=O)c1Cl
Show InChI InChI=1S/C19H18O2/c1-13-15(7-5-9-18(13)21-2)12-16-11-10-14-6-3-4-8-17(14)19(16)20/h3-9,12H,10-11H2,1-2H3/b16-12+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203840
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-6-m...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1cccc(OC)c1Cl
Show InChI InChI=1S/C19H17ClO3/c1-22-15-8-9-16-12(11-15)6-7-14(19(16)21)10-13-4-3-5-17(23-2)18(13)20/h3-5,8-11H,6-7H2,1-2H3/b14-10+
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n/an/a 4.39E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203854
PNG
((2E)-7-bromo-2-[(2-bromo-3,4,5-trimethoxyphenyl)me...)
Show SMILES COc1cc(\C=C2/CCc3ccc(Br)cc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H18Br2O4/c1-24-16-9-13(17(22)20(26-3)19(16)25-2)8-12-5-4-11-6-7-14(21)10-15(11)18(12)23/h6-10H,4-5H2,1-3H3/b12-8+
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n/an/a 4.46E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203841
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccc(OC)c(OC)c1Cl
Show InChI InChI=1S/C20H19ClO4/c1-23-15-7-8-16-12(11-15)4-5-14(19(16)22)10-13-6-9-17(24-2)20(25-3)18(13)21/h6-11H,4-5H2,1-3H3/b14-10+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203839
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc(\C=C2/CCc3ccc(Cl)cc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H18BrClO4/c1-24-16-9-13(17(21)20(26-3)19(16)25-2)8-12-5-4-11-6-7-14(22)10-15(11)18(12)23/h6-10H,4-5H2,1-3H3/b12-8+
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n/an/a 4.89E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203835
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc(\C=C2/CCc3c(O)cccc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C19H17ClO4/c1-23-16-9-7-11(17(20)19(16)24-2)10-12-6-8-13-14(18(12)22)4-3-5-15(13)21/h3-5,7,9-10,21H,6,8H2,1-2H3/b12-10+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203831
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-4-m...)
Show SMILES COc1cccc(\C=C2/CC(C)c3ccccc3C2=O)c1Cl
Show InChI InChI=1S/C19H17ClO2/c1-12-10-14(19(21)16-8-4-3-7-15(12)16)11-13-6-5-9-17(22-2)18(13)20/h3-9,11-12H,10H2,1-2H3/b14-11+
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n/an/a 4.99E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203845
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cccc2C(=O)\C(CCc12)=C\c1cc(OC)c(OC)c(OC)c1Br
Show InChI InChI=1S/C21H21BrO5/c1-24-16-7-5-6-15-14(16)9-8-12(19(15)23)10-13-11-17(25-2)20(26-3)21(27-4)18(13)22/h5-7,10-11H,8-9H2,1-4H3/b12-10+
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n/an/a 5.60E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203834
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-5-h...)
Show SMILES COc1cccc(\C=C2/CCc3c(O)cccc3C2=O)c1Cl
Show InChI InChI=1S/C18H15ClO3/c1-22-16-7-2-4-11(17(16)19)10-12-8-9-13-14(18(12)21)5-3-6-15(13)20/h2-7,10,20H,8-9H2,1H3/b12-10+
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n/an/a 5.64E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203853
PNG
((2E)-7-bromo-2-[(2-chloro-3,4-dimethoxyphenyl)meth...)
Show SMILES COc1ccc(\C=C2/CCc3ccc(Br)cc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C19H16BrClO3/c1-23-16-8-6-12(17(21)19(16)24-2)9-13-4-3-11-5-7-14(20)10-15(11)18(13)22/h5-10H,3-4H2,1-2H3/b13-9+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203838
PNG
((2E)-7-chloro-2-[(2-chloro-3,4-dimethoxyphenyl)met...)
Show SMILES COc1ccc(\C=C2/CCc3ccc(Cl)cc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C19H16Cl2O3/c1-23-16-8-6-12(17(21)19(16)24-2)9-13-4-3-11-5-7-14(20)10-15(11)18(13)22/h5-10H,3-4H2,1-2H3/b13-9+
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n/an/a 5.67E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203844
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1cccc2C(=O)\C(CCc12)=C\c1ccc(OC)c(OC)c1Cl
Show InChI InChI=1S/C20H19ClO4/c1-23-16-6-4-5-15-14(16)9-7-13(19(15)22)11-12-8-10-17(24-2)20(25-3)18(12)21/h4-6,8,10-11H,7,9H2,1-3H3/b13-11+
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n/an/a 6.37E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203845
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cccc2C(=O)\C(CCc12)=C\c1cc(OC)c(OC)c(OC)c1Br
Show InChI InChI=1S/C21H21BrO5/c1-24-16-7-5-6-15-14(16)9-8-12(19(15)23)10-13-11-17(25-2)20(26-3)21(27-4)18(13)22/h5-7,10-11H,8-9H2,1-4H3/b12-10+
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n/an/a 6.72E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203852
PNG
((2E)-7-bromo-2-[(2-chloro-3-methoxyphenyl)methylid...)
Show SMILES COc1cccc(\C=C2/CCc3ccc(Br)cc3C2=O)c1Cl
Show InChI InChI=1S/C18H14BrClO2/c1-22-16-4-2-3-12(17(16)20)9-13-6-5-11-7-8-14(19)10-15(11)18(13)21/h2-4,7-10H,5-6H2,1H3/b13-9+
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n/an/a 6.79E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203836
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc(\C=C2/CCc3c(O)cccc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H19BrO5/c1-24-16-10-12(17(21)20(26-3)19(16)25-2)9-11-7-8-13-14(18(11)23)5-4-6-15(13)22/h4-6,9-10,22H,7-8H2,1-3H3/b11-9+
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n/an/a 7.69E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203843
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-5-m...)
Show SMILES COc1cccc(\C=C2/CCc3c(OC)cccc3C2=O)c1Cl
Show InChI InChI=1S/C19H17ClO3/c1-22-16-7-4-6-15-14(16)10-9-13(19(15)21)11-12-5-3-8-17(23-2)18(12)20/h3-8,11H,9-10H2,1-2H3/b13-11+
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n/an/a 7.89E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203844
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1cccc2C(=O)\C(CCc12)=C\c1ccc(OC)c(OC)c1Cl
Show InChI InChI=1S/C20H19ClO4/c1-23-16-6-4-5-15-14(16)9-7-13(19(15)22)11-12-8-10-17(24-2)20(25-3)18(12)21/h4-6,8,10-11H,7,9H2,1-3H3/b13-11+
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n/an/a 8.12E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203857
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc(\C=C2/CCc3ccc(F)cc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H18BrFO4/c1-24-16-9-13(17(21)20(26-3)19(16)25-2)8-12-5-4-11-6-7-14(22)10-15(11)18(12)23/h6-10H,4-5H2,1-3H3/b12-8+
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n/an/a 8.94E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203843
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-5-m...)
Show SMILES COc1cccc(\C=C2/CCc3c(OC)cccc3C2=O)c1Cl
Show InChI InChI=1S/C19H17ClO3/c1-22-16-7-4-6-15-14(16)10-9-13(19(15)21)11-12-5-3-8-17(23-2)18(12)20/h3-8,11H,9-10H2,1-2H3/b13-11+
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n/an/a 8.95E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203845
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cccc2C(=O)\C(CCc12)=C\c1cc(OC)c(OC)c(OC)c1Br
Show InChI InChI=1S/C21H21BrO5/c1-24-16-7-5-6-15-14(16)9-8-12(19(15)23)10-13-11-17(25-2)20(26-3)21(27-4)18(13)22/h5-7,10-11H,8-9H2,1-4H3/b12-10+
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n/an/a 9.25E+4n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203835
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc(\C=C2/CCc3c(O)cccc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C19H17ClO4/c1-23-16-9-7-11(17(20)19(16)24-2)10-12-6-8-13-14(18(12)22)4-3-5-15(13)21/h3-5,7,9-10,21H,6,8H2,1-2H3/b12-10+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203853
PNG
((2E)-7-bromo-2-[(2-chloro-3,4-dimethoxyphenyl)meth...)
Show SMILES COc1ccc(\C=C2/CCc3ccc(Br)cc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C19H16BrClO3/c1-23-16-8-6-12(17(21)19(16)24-2)9-13-4-3-11-5-7-14(20)10-15(11)18(13)22/h5-10H,3-4H2,1-2H3/b13-9+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203834
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-5-h...)
Show SMILES COc1cccc(\C=C2/CCc3c(O)cccc3C2=O)c1Cl
Show InChI InChI=1S/C18H15ClO3/c1-22-16-7-2-4-11(17(16)19)10-12-8-9-13-14(18(12)21)5-3-6-15(13)20/h2-7,10,20H,8-9H2,1H3/b12-10+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203849
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-5,8...)
Show SMILES COc1cccc(\C=C2/CCc3c(OC)ccc(OC)c3C2=O)c1Cl
Show InChI InChI=1S/C20H19ClO4/c1-23-15-9-10-16(24-2)18-14(15)8-7-13(20(18)22)11-12-5-4-6-17(25-3)19(12)21/h4-6,9-11H,7-8H2,1-3H3/b13-11+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203853
PNG
((2E)-7-bromo-2-[(2-chloro-3,4-dimethoxyphenyl)meth...)
Show SMILES COc1ccc(\C=C2/CCc3ccc(Br)cc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C19H16BrClO3/c1-23-16-8-6-12(17(21)19(16)24-2)9-13-4-3-11-5-7-14(20)10-15(11)18(13)22/h5-10H,3-4H2,1-2H3/b13-9+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203838
PNG
((2E)-7-chloro-2-[(2-chloro-3,4-dimethoxyphenyl)met...)
Show SMILES COc1ccc(\C=C2/CCc3ccc(Cl)cc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C19H16Cl2O3/c1-23-16-8-6-12(17(21)19(16)24-2)9-13-4-3-11-5-7-14(20)10-15(11)18(13)22/h5-10H,3-4H2,1-2H3/b13-9+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203838
PNG
((2E)-7-chloro-2-[(2-chloro-3,4-dimethoxyphenyl)met...)
Show SMILES COc1ccc(\C=C2/CCc3ccc(Cl)cc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C19H16Cl2O3/c1-23-16-8-6-12(17(21)19(16)24-2)9-13-4-3-11-5-7-14(20)10-15(11)18(13)22/h5-10H,3-4H2,1-2H3/b13-9+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203839
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc(\C=C2/CCc3ccc(Cl)cc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H18BrClO4/c1-24-16-9-13(17(21)20(26-3)19(16)25-2)8-12-5-4-11-6-7-14(22)10-15(11)18(12)23/h6-10H,4-5H2,1-3H3/b12-8+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203854
PNG
((2E)-7-bromo-2-[(2-bromo-3,4,5-trimethoxyphenyl)me...)
Show SMILES COc1cc(\C=C2/CCc3ccc(Br)cc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H18Br2O4/c1-24-16-9-13(17(22)20(26-3)19(16)25-2)8-12-5-4-11-6-7-14(21)10-15(11)18(12)23/h6-10H,4-5H2,1-3H3/b12-8+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203828
PNG
((2E)-2-[(3-methoxy-2-methylphenyl)methylidene]-1,2...)
Show SMILES COc1cccc(\C=C2/CCc3ccccc3C2=O)c1Cl
Show InChI InChI=1S/C19H18O2/c1-13-15(7-5-9-18(13)21-2)12-16-11-10-14-6-3-4-8-17(14)19(16)20/h3-9,12H,10-11H2,1-2H3/b16-12+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203837
PNG
((2E)-7-chloro-2-[(2-chloro-3-methoxyphenyl)methyli...)
Show SMILES COc1cccc(\C=C2/CCc3ccc(Cl)cc3C2=O)c1Cl
Show InChI InChI=1S/C18H14Cl2O2/c1-22-16-4-2-3-12(17(16)20)9-13-6-5-11-7-8-14(19)10-15(11)18(13)21/h2-4,7-10H,5-6H2,1H3/b13-9+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203844
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1cccc2C(=O)\C(CCc12)=C\c1ccc(OC)c(OC)c1Cl
Show InChI InChI=1S/C20H19ClO4/c1-23-16-6-4-5-15-14(16)9-7-13(19(15)22)11-12-8-10-17(24-2)20(25-3)18(12)21/h4-6,8,10-11H,7,9H2,1-3H3/b13-11+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203846
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-6,7...)
Show SMILES COc1cccc(\C=C2/CCc3cc(OC)c(OC)cc3C2=O)c1Cl
Show InChI InChI=1S/C20H19ClO4/c1-23-16-6-4-5-13(19(16)21)9-14-8-7-12-10-17(24-2)18(25-3)11-15(12)20(14)22/h4-6,9-11H,7-8H2,1-3H3/b14-9+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203852
PNG
((2E)-7-bromo-2-[(2-chloro-3-methoxyphenyl)methylid...)
Show SMILES COc1cccc(\C=C2/CCc3ccc(Br)cc3C2=O)c1Cl
Show InChI InChI=1S/C18H14BrClO2/c1-22-16-4-2-3-12(17(16)20)9-13-6-5-11-7-8-14(19)10-15(11)18(13)21/h2-4,7-10H,5-6H2,1H3/b13-9+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203855
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-7-f...)
Show SMILES COc1cccc(\C=C2/CCc3ccc(F)cc3C2=O)c1Cl
Show InChI InChI=1S/C18H14ClFO2/c1-22-16-4-2-3-12(17(16)19)9-13-6-5-11-7-8-14(20)10-15(11)18(13)21/h2-4,7-10H,5-6H2,1H3/b13-9+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203848
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc2CC\C(=C/c3cc(OC)c(OC)c(OC)c3Br)C(=O)c2cc1OC
Show InChI InChI=1S/C22H23BrO6/c1-25-16-9-12-6-7-13(20(24)15(12)11-17(16)26-2)8-14-10-18(27-3)21(28-4)22(29-5)19(14)23/h8-11H,6-7H2,1-5H3/b13-8+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203834
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-5-h...)
Show SMILES COc1cccc(\C=C2/CCc3c(O)cccc3C2=O)c1Cl
Show InChI InChI=1S/C18H15ClO3/c1-22-16-7-2-4-11(17(16)19)10-12-8-9-13-14(18(12)21)5-3-6-15(13)20/h2-7,10,20H,8-9H2,1H3/b12-10+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203849
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-5,8...)
Show SMILES COc1cccc(\C=C2/CCc3c(OC)ccc(OC)c3C2=O)c1Cl
Show InChI InChI=1S/C20H19ClO4/c1-23-15-9-10-16(24-2)18-14(15)8-7-13(20(18)22)11-12-5-4-6-17(25-3)19(12)21/h4-6,9-11H,7-8H2,1-3H3/b13-11+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203856
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc(\C=C2/CCc3ccc(F)cc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C19H16ClFO3/c1-23-16-8-6-12(17(20)19(16)24-2)9-13-4-3-11-5-7-14(21)10-15(11)18(13)22/h5-10H,3-4H2,1-2H3/b13-9+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203837
PNG
((2E)-7-chloro-2-[(2-chloro-3-methoxyphenyl)methyli...)
Show SMILES COc1cccc(\C=C2/CCc3ccc(Cl)cc3C2=O)c1Cl
Show InChI InChI=1S/C18H14Cl2O2/c1-22-16-4-2-3-12(17(16)20)9-13-6-5-11-7-8-14(19)10-15(11)18(13)21/h2-4,7-10H,5-6H2,1H3/b13-9+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203838
PNG
((2E)-7-chloro-2-[(2-chloro-3,4-dimethoxyphenyl)met...)
Show SMILES COc1ccc(\C=C2/CCc3ccc(Cl)cc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C19H16Cl2O3/c1-23-16-8-6-12(17(21)19(16)24-2)9-13-4-3-11-5-7-14(20)10-15(11)18(13)22/h5-10H,3-4H2,1-2H3/b13-9+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203844
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1cccc2C(=O)\C(CCc12)=C\c1ccc(OC)c(OC)c1Cl
Show InChI InChI=1S/C20H19ClO4/c1-23-16-6-4-5-15-14(16)9-7-13(19(15)22)11-12-8-10-17(24-2)20(25-3)18(12)21/h4-6,8,10-11H,7,9H2,1-3H3/b13-11+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203847
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1cc2CC\C(=C/c3ccc(OC)c(OC)c3Cl)C(=O)c2cc1OC
Show InChI InChI=1S/C21H21ClO5/c1-24-16-8-7-13(19(22)21(16)27-4)9-14-6-5-12-10-17(25-2)18(26-3)11-15(12)20(14)23/h7-11H,5-6H2,1-4H3/b14-9+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203839
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc(\C=C2/CCc3ccc(Cl)cc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H18BrClO4/c1-24-16-9-13(17(21)20(26-3)19(16)25-2)8-12-5-4-11-6-7-14(22)10-15(11)18(12)23/h6-10H,4-5H2,1-3H3/b12-8+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203850
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc(OC)c2C(=O)\C(CCc12)=C\c1ccc(OC)c(OC)c1Cl
Show InChI InChI=1S/C21H21ClO5/c1-24-15-9-10-16(25-2)18-14(15)7-5-13(20(18)23)11-12-6-8-17(26-3)21(27-4)19(12)22/h6,8-11H,5,7H2,1-4H3/b13-11+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203836
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc(\C=C2/CCc3c(O)cccc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H19BrO5/c1-24-16-10-12(17(21)20(26-3)19(16)25-2)9-11-7-8-13-14(18(11)23)5-4-6-15(13)22/h4-6,9-10,22H,7-8H2,1-3H3/b11-9+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203837
PNG
((2E)-7-chloro-2-[(2-chloro-3-methoxyphenyl)methyli...)
Show SMILES COc1cccc(\C=C2/CCc3ccc(Cl)cc3C2=O)c1Cl
Show InChI InChI=1S/C18H14Cl2O2/c1-22-16-4-2-3-12(17(16)20)9-13-6-5-11-7-8-14(19)10-15(11)18(13)21/h2-4,7-10H,5-6H2,1H3/b13-9+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203855
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-7-f...)
Show SMILES COc1cccc(\C=C2/CCc3ccc(F)cc3C2=O)c1Cl
Show InChI InChI=1S/C18H14ClFO2/c1-22-16-4-2-3-12(17(16)19)9-13-6-5-11-7-8-14(20)10-15(11)18(13)21/h2-4,7-10H,5-6H2,1H3/b13-9+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203829
PNG
((2E)-2-[(3,4-dimethoxy-2-methylphenyl)methylidene]...)
Show SMILES COc1ccc(\C=C2/CCc3ccccc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C20H20O3/c1-13-15(10-11-18(22-2)20(13)23-3)12-16-9-8-14-6-4-5-7-17(14)19(16)21/h4-7,10-12H,8-9H2,1-3H3/b16-12+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203843
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-5-m...)
Show SMILES COc1cccc(\C=C2/CCc3c(OC)cccc3C2=O)c1Cl
Show InChI InChI=1S/C19H17ClO3/c1-22-16-7-4-6-15-14(16)10-9-13(19(15)21)11-12-5-3-8-17(23-2)18(12)20/h3-8,11H,9-10H2,1-2H3/b13-11+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203846
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-6,7...)
Show SMILES COc1cccc(\C=C2/CCc3cc(OC)c(OC)cc3C2=O)c1Cl
Show InChI InChI=1S/C20H19ClO4/c1-23-16-6-4-5-13(19(16)21)9-14-8-7-12-10-17(24-2)18(25-3)11-15(12)20(14)22/h4-6,9-11H,7-8H2,1-3H3/b14-9+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203851
PNG
(2-(2-Bromo-3,4,5-trimethoxy-benzylidene)-5,8-dimet...)
Show SMILES COc1ccc(OC)c2C(=O)\C(CCc12)=C\c1cc(OC)c(OC)c(OC)c1Br
Show InChI InChI=1S/C22H23BrO6/c1-25-15-8-9-16(26-2)18-14(15)7-6-12(20(18)24)10-13-11-17(27-3)21(28-4)22(29-5)19(13)23/h8-11H,6-7H2,1-5H3/b12-10+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203834
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-5-h...)
Show SMILES COc1cccc(\C=C2/CCc3c(O)cccc3C2=O)c1Cl
Show InChI InChI=1S/C18H15ClO3/c1-22-16-7-2-4-11(17(16)19)10-12-8-9-13-14(18(12)21)5-3-6-15(13)20/h2-7,10,20H,8-9H2,1H3/b12-10+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203856
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc(\C=C2/CCc3ccc(F)cc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C19H16ClFO3/c1-23-16-8-6-12(17(20)19(16)24-2)9-13-4-3-11-5-7-14(21)10-15(11)18(13)22/h5-10H,3-4H2,1-2H3/b13-9+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203843
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-5-m...)
Show SMILES COc1cccc(\C=C2/CCc3c(OC)cccc3C2=O)c1Cl
Show InChI InChI=1S/C19H17ClO3/c1-22-16-7-4-6-15-14(16)10-9-13(19(15)21)11-12-5-3-8-17(23-2)18(12)20/h3-8,11H,9-10H2,1-2H3/b13-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203845
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cccc2C(=O)\C(CCc12)=C\c1cc(OC)c(OC)c(OC)c1Br
Show InChI InChI=1S/C21H21BrO5/c1-24-16-7-5-6-15-14(16)9-8-12(19(15)23)10-13-11-17(25-2)20(26-3)21(27-4)18(13)22/h5-7,10-11H,8-9H2,1-4H3/b12-10+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203854
PNG
((2E)-7-bromo-2-[(2-bromo-3,4,5-trimethoxyphenyl)me...)
Show SMILES COc1cc(\C=C2/CCc3ccc(Br)cc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H18Br2O4/c1-24-16-9-13(17(22)20(26-3)19(16)25-2)8-12-5-4-11-6-7-14(21)10-15(11)18(12)23/h6-10H,4-5H2,1-3H3/b12-8+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203851
PNG
(2-(2-Bromo-3,4,5-trimethoxy-benzylidene)-5,8-dimet...)
Show SMILES COc1ccc(OC)c2C(=O)\C(CCc12)=C\c1cc(OC)c(OC)c(OC)c1Br
Show InChI InChI=1S/C22H23BrO6/c1-25-15-8-9-16(26-2)18-14(15)7-6-12(20(18)24)10-13-11-17(27-3)21(28-4)22(29-5)19(13)23/h8-11H,6-7H2,1-5H3/b12-10+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203853
PNG
((2E)-7-bromo-2-[(2-chloro-3,4-dimethoxyphenyl)meth...)
Show SMILES COc1ccc(\C=C2/CCc3ccc(Br)cc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C19H16BrClO3/c1-23-16-8-6-12(17(21)19(16)24-2)9-13-4-3-11-5-7-14(20)10-15(11)18(13)22/h5-10H,3-4H2,1-2H3/b13-9+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203857
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc(\C=C2/CCc3ccc(F)cc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H18BrFO4/c1-24-16-9-13(17(21)20(26-3)19(16)25-2)8-12-5-4-11-6-7-14(22)10-15(11)18(12)23/h6-10H,4-5H2,1-3H3/b12-8+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203840
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-6-m...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1cccc(OC)c1Cl
Show InChI InChI=1S/C19H17ClO3/c1-22-15-8-9-16-12(11-15)6-7-14(19(16)21)10-13-4-3-5-17(23-2)18(13)20/h3-5,8-11H,6-7H2,1-2H3/b14-10+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203847
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1cc2CC\C(=C/c3ccc(OC)c(OC)c3Cl)C(=O)c2cc1OC
Show InChI InChI=1S/C21H21ClO5/c1-24-16-8-7-13(19(22)21(16)27-4)9-14-6-5-12-10-17(25-2)18(26-3)11-15(12)20(14)23/h7-11H,5-6H2,1-4H3/b14-9+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203835
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc(\C=C2/CCc3c(O)cccc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C19H17ClO4/c1-23-16-9-7-11(17(20)19(16)24-2)10-12-6-8-13-14(18(12)22)4-3-5-15(13)21/h3-5,7,9-10,21H,6,8H2,1-2H3/b12-10+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203840
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-6-m...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1cccc(OC)c1Cl
Show InChI InChI=1S/C19H17ClO3/c1-22-15-8-9-16-12(11-15)6-7-14(19(16)21)10-13-4-3-5-17(23-2)18(13)20/h3-5,8-11H,6-7H2,1-2H3/b14-10+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203840
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-6-m...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1cccc(OC)c1Cl
Show InChI InChI=1S/C19H17ClO3/c1-22-15-8-9-16-12(11-15)6-7-14(19(16)21)10-13-4-3-5-17(23-2)18(13)20/h3-5,8-11H,6-7H2,1-2H3/b14-10+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203849
PNG
((2E)-2-[(2-chloro-3-methoxyphenyl)methylidene]-5,8...)
Show SMILES COc1cccc(\C=C2/CCc3c(OC)ccc(OC)c3C2=O)c1Cl
Show InChI InChI=1S/C20H19ClO4/c1-23-15-9-10-16(24-2)18-14(15)8-7-13(20(18)22)11-12-5-4-6-17(25-3)19(12)21/h4-6,9-11H,7-8H2,1-3H3/b13-11+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203852
PNG
((2E)-7-bromo-2-[(2-chloro-3-methoxyphenyl)methylid...)
Show SMILES COc1cccc(\C=C2/CCc3ccc(Br)cc3C2=O)c1Cl
Show InChI InChI=1S/C18H14BrClO2/c1-22-16-4-2-3-12(17(16)20)9-13-6-5-11-7-8-14(19)10-15(11)18(13)21/h2-4,7-10H,5-6H2,1H3/b13-9+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203848
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc2CC\C(=C/c3cc(OC)c(OC)c(OC)c3Br)C(=O)c2cc1OC
Show InChI InChI=1S/C22H23BrO6/c1-25-16-9-12-6-7-13(20(24)15(12)11-17(16)26-2)8-14-10-18(27-3)21(28-4)22(29-5)19(14)23/h8-11H,6-7H2,1-5H3/b13-8+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203836
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc(\C=C2/CCc3c(O)cccc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H19BrO5/c1-24-16-10-12(17(21)20(26-3)19(16)25-2)9-11-7-8-13-14(18(11)23)5-4-6-15(13)22/h4-6,9-10,22H,7-8H2,1-3H3/b11-9+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203850
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc(OC)c2C(=O)\C(CCc12)=C\c1ccc(OC)c(OC)c1Cl
Show InChI InChI=1S/C21H21ClO5/c1-24-15-9-10-16(25-2)18-14(15)7-5-13(20(18)23)11-12-6-8-17(26-3)21(27-4)19(12)22/h6,8-11H,5,7H2,1-4H3/b13-11+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM203835
PNG
((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...)
Show SMILES COc1ccc(\C=C2/CCc3c(O)cccc3C2=O)c(Cl)c1OC
Show InChI InChI=1S/C19H17ClO4/c1-23-16-9-7-11(17(20)19(16)24-2)10-12-6-8-13-14(18(12)22)4-3-5-15(13)21/h3-5,7,9-10,21H,6,8H2,1-2H3/b12-10+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203830
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc(\C=C2/CCc3ccccc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H19BrO4/c1-23-16-11-14(17(21)20(25-3)19(16)24-2)10-13-9-8-12-6-4-5-7-15(12)18(13)22/h4-7,10-11H,8-9H2,1-3H3/b13-10+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM203854
PNG
((2E)-7-bromo-2-[(2-bromo-3,4,5-trimethoxyphenyl)me...)
Show SMILES COc1cc(\C=C2/CCc3ccc(Br)cc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H18Br2O4/c1-24-16-9-13(17(22)20(26-3)19(16)25-2)8-12-5-4-11-6-7-14(21)10-15(11)18(12)23/h6-10H,4-5H2,1-3H3/b12-8+
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Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203839
PNG
((2E)-2-[(2-bromo-3,4,5-trimethoxyphenyl)methyliden...)
Show SMILES COc1cc(\C=C2/CCc3ccc(Cl)cc3C2=O)c(Br)c(OC)c1OC
Show InChI InChI=1S/C20H18BrClO4/c1-24-16-9-13(17(21)20(26-3)19(16)25-2)8-12-5-4-11-6-7-14(22)10-15(11)18(12)23/h6-10H,4-5H2,1-3H3/b12-8+
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Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM203852
PNG
((2E)-7-bromo-2-[(2-chloro-3-methoxyphenyl)methylid...)
Show SMILES COc1cccc(\C=C2/CCc3ccc(Br)cc3C2=O)c1Cl
Show InChI InChI=1S/C18H14BrClO2/c1-22-16-4-2-3-12(17(16)20)9-13-6-5-11-7-8-14(19)10-15(11)18(13)21/h2-4,7-10H,5-6H2,1H3/b13-9+
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM203837
PNG
((2E)-7-chloro-2-[(2-chloro-3-methoxyphenyl)methyli...)
Show SMILES COc1cccc(\C=C2/CCc3ccc(Cl)cc3C2=O)c1Cl
Show InChI InChI=1S/C18H14Cl2O2/c1-22-16-4-2-3-12(17(16)20)9-13-6-5-11-7-8-14(19)10-15(11)18(13)21/h2-4,7-10H,5-6H2,1H3/b13-9+
PDB
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KEGG

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B.MOAD
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PC cid
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UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
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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Article
PubMed
n/an/a 8.28E+5n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...


Chem Biol Drug Des 88: 889-898 (2016)


Article DOI: 10.1111/cbdd.12822
BindingDB Entry DOI: 10.7270/Q2TX3D65
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%