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Found 242 hits with Last Name = 'ahmad' and Initial = 'w'   
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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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
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))
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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 210n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
Reaction mixture containing 100 mM Tris-HCl buffer (pH 8) and COX-1 (ovine) or COX-2 (human recombinant) was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
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
Phospholipase A2


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 610n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
Substrate 1,2-bis(heptanoylthio)-glycerophosphocholine and human recombinant PLA2-V were resuspended in assay buffer, and DTNB was dissolved in an aq...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
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
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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n/an/a 1.20E+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))
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
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
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
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
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50006805
PNG
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
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n/an/a 1.91E+3n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
The assay buffer contained 100 mM KHPO4 (pH 7.0), 2 mM EDTA and 2.5 mM reduced GSH. 100 µL of reaction buffer containing human recombinant mPGES...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50362536
PNG
(CHEMBL1941013)
Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H19N3O/c30-25(21-15-13-20(14-16-21)19-8-2-1-3-9-19)18-29-24-12-5-4-10-22(24)28-26(29)23-11-6-7-17-27-23/h1-17H,18H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis


Bioorg Med Chem Lett 22: 1282-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.018
BindingDB Entry DOI: 10.7270/Q2WS8TPJ
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
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM111808
PNG
(2,6-Bis(4-diethyl-aminobenzylidene)cyclohexanone (...)
Show SMILES CCN(CC)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)N(CC)CC)C2=O)cc1
Show InChI InChI=1S/C28H36N2O/c1-5-29(6-2)26-16-12-22(13-17-26)20-24-10-9-11-25(28(24)31)21-23-14-18-27(19-15-23)30(7-3)8-4/h12-21H,5-11H2,1-4H3/b24-20+,25-21+
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n/an/a 2.41E+3n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
The assay buffer contained 100 mM KHPO4 (pH 7.0), 2 mM EDTA and 2.5 mM reduced GSH. 100 µL of reaction buffer containing human recombinant mPGES...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
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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n/an/a 2.90E+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
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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n/an/a 2.90E+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
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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n/an/a 2.90E+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))
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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n/an/a 3.20E+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
Cyclooxygenase


(Homo sapiens (human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 3.24E+3n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
Reaction mixture containing 100 mM Tris-HCl buffer (pH 8) and COX-1 (ovine) or COX-2 (human recombinant) was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM111814
PNG
(2,5-Bis[4-(methylaminoethanol)benzylidene] cyclope...)
Show SMILES CNC(CO)c1ccc(\C=C2/CC\C(=C/c3ccc(cc3)C(CO)NC)C2=O)cc1
Show InChI InChI=1S/C25H30N2O3/c1-26-23(15-28)19-7-3-17(4-8-19)13-21-11-12-22(25(21)30)14-18-5-9-20(10-6-18)24(16-29)27-2/h3-10,13-14,23-24,26-29H,11-12,15-16H2,1-2H3/b21-13+,22-14+
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n/an/a 3.78E+3n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
The assay buffer contained 100 mM KHPO4 (pH 7.0), 2 mM EDTA and 2.5 mM reduced GSH. 100 µL of reaction buffer containing human recombinant mPGES...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM111810
PNG
((1Z,4Z)-1,5-Bis [4-(methylaminoethanol)phenyl]- 1,...)
Show SMILES CNC(CO)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2)C(CO)NC)cc1
Show InChI InChI=1S/C23H28N2O3/c1-24-22(15-26)19-9-3-17(4-10-19)7-13-21(28)14-8-18-5-11-20(12-6-18)23(16-27)25-2/h3-14,22-27H,15-16H2,1-2H3/b13-7+,14-8+
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n/an/a 4.23E+3n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
The assay buffer contained 100 mM KHPO4 (pH 7.0), 2 mM EDTA and 2.5 mM reduced GSH. 100 µL of reaction buffer containing human recombinant mPGES...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM111809
PNG
(2,6-Bis[2-methyl-4(N-ethyl-N-ethylacetonitrile) an...)
Show SMILES CCN(CC)C(C#C)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3C)C(C#C)N(CC)CC)C2=O)c(C)c1
Show InChI InChI=1S/C36H44N2O/c1-9-34(37(11-3)12-4)30-20-18-28(26(7)22-30)24-32-16-15-17-33(36(32)39)25-29-19-21-31(23-27(29)8)35(10-2)38(13-5)14-6/h1-2,18-25,34-35H,11-17H2,3-8H3/b32-24+,33-25+
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n/an/a 4.48E+3n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
The assay buffer contained 100 mM KHPO4 (pH 7.0), 2 mM EDTA and 2.5 mM reduced GSH. 100 µL of reaction buffer containing human recombinant mPGES...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
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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n/an/a 4.50E+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
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM29532
PNG
((1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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n/an/a 4.88E+3n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
The assay buffer contained 100 mM KHPO4 (pH 7.0), 2 mM EDTA and 2.5 mM reduced GSH. 100 µL of reaction buffer containing human recombinant mPGES...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM111805
PNG
(2,6-Bis[4-(methylaminoethanol)benzylidine] cyclohe...)
Show SMILES CNC(CO)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)C(CO)NC)C2=O)cc1
Show InChI InChI=1S/C26H32N2O3/c1-27-24(16-29)20-10-6-18(7-11-20)14-22-4-3-5-23(26(22)31)15-19-8-12-21(13-9-19)25(17-30)28-2/h6-15,24-25,27-30H,3-5,16-17H2,1-2H3/b22-14+,23-15+
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n/an/a 4.96E+3n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
The assay buffer contained 100 mM KHPO4 (pH 7.0), 2 mM EDTA and 2.5 mM reduced GSH. 100 µL of reaction buffer containing human recombinant mPGES...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
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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n/an/a 5.40E+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
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM111817
PNG
(2,5-Bis(4-diethylaminobenzylidene)cyclopentanone (...)
Show SMILES CCN(CC)c1ccc(\C=C2/CC\C(=C/c3ccc(cc3)N(CC)CC)C2=O)cc1
Show InChI InChI=1S/C27H34N2O/c1-5-28(6-2)25-15-9-21(10-16-25)19-23-13-14-24(27(23)30)20-22-11-17-26(18-12-22)29(7-3)8-4/h9-12,15-20H,5-8,13-14H2,1-4H3/b23-19+,24-20+
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n/an/a 5.48E+3n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
The assay buffer contained 100 mM KHPO4 (pH 7.0), 2 mM EDTA and 2.5 mM reduced GSH. 100 µL of reaction buffer containing human recombinant mPGES...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
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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n/an/a 5.60E+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
Phospholipase A2


(Homo sapiens (Human))
BDBM111809
PNG
(2,6-Bis[2-methyl-4(N-ethyl-N-ethylacetonitrile) an...)
Show SMILES CCN(CC)C(C#C)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3C)C(C#C)N(CC)CC)C2=O)c(C)c1
Show InChI InChI=1S/C36H44N2O/c1-9-34(37(11-3)12-4)30-20-18-28(26(7)22-30)24-32-16-15-17-33(36(32)39)25-29-19-21-31(23-27(29)8)35(10-2)38(13-5)14-6/h1-2,18-25,34-35H,11-17H2,3-8H3/b32-24+,33-25+
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n/an/a 5.89E+3n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
Substrate 1,2-bis(heptanoylthio)-glycerophosphocholine and human recombinant PLA2-V were resuspended in assay buffer, and DTNB was dissolved in an aq...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM111813
PNG
((1E,4E)-1,5-Bis[2-methyl-4(N-ethyl-Nethylacetonitr...)
Show SMILES CCN(CC)C(C#N)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2C)C(C#N)N(CC)CC)c(C)c1
Show InChI InChI=1S/C31H38N4O/c1-7-34(8-2)30(21-32)27-13-11-25(23(5)19-27)15-17-29(36)18-16-26-12-14-28(20-24(26)6)31(22-33)35(9-3)10-4/h11-20,30-31H,7-10H2,1-6H3/b17-15+,18-16+
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n/an/a 5.98E+3n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
Substrate 1,2-bis(heptanoylthio)-glycerophosphocholine and human recombinant PLA2-V were resuspended in assay buffer, and DTNB was dissolved in an aq...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
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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n/an/a 6.20E+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
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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n/an/a 6.80E+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))
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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n/an/a 6.90E+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
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM111812
PNG
((1E,4E)‐1,5‐bis[4‐(diethylamino)...)
Show SMILES CCN(CC)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2)N(CC)CC)cc1
Show InChI InChI=1S/C25H32N2O/c1-5-26(6-2)23-15-9-21(10-16-23)13-19-25(28)20-14-22-11-17-24(18-12-22)27(7-3)8-4/h9-20H,5-8H2,1-4H3/b19-13+,20-14+
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n/an/a 6.98E+3n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
The assay buffer contained 100 mM KHPO4 (pH 7.0), 2 mM EDTA and 2.5 mM reduced GSH. 100 µL of reaction buffer containing human recombinant mPGES...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
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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n/an/a 7.20E+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
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
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM111807
PNG
(2,6-Bis(2,3-dimethoxybenzylidene)cyclohexanone (3))
Show SMILES COc1cccc(\C=C2/CCC\C(=C/c3cccc(OC)c3OC)C2=O)c1OC
Show InChI InChI=1S/C24H26O5/c1-26-20-12-6-10-18(23(20)28-3)14-16-8-5-9-17(22(16)25)15-19-11-7-13-21(27-2)24(19)29-4/h6-7,10-15H,5,8-9H2,1-4H3/b16-14+,17-15+
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n/an/a 7.34E+3n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
The assay buffer contained 100 mM KHPO4 (pH 7.0), 2 mM EDTA and 2.5 mM reduced GSH. 100 µL of reaction buffer containing human recombinant mPGES...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM111820
PNG
((2E,5E)‐2,5‐bis(2‐phenylpropylid...)
Show SMILES CC(C=C1CCC(=CC(C)c2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C23H24O/c1-17(19-9-5-3-6-10-19)15-21-13-14-22(23(21)24)16-18(2)20-11-7-4-8-12-20/h3-12,15-18H,13-14H2,1-2H3
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n/an/a 7.48E+3n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia



Assay Description
The assay buffer contained 100 mM KHPO4 (pH 7.0), 2 mM EDTA and 2.5 mM reduced GSH. 100 µL of reaction buffer containing human recombinant mPGES...


Chem Biol Drug Des 83: 670-81 (2014)


Article DOI: 10.1111/cbdd.12280
BindingDB Entry DOI: 10.7270/Q26H4G2V
More data for this
Ligand-Target Pair
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