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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'chung' and Initial = 'hy'   
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
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM60579
PNG
((5Z)-5-(4-hydroxybenzylidene)thiazolidine-2,4-quin...)
Show SMILES Oc1ccc(\C=C2/SC(=O)NC2=O)cc1
Show InChI InChI=1S/C10H7NO3S/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)/b8-5-
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374n/an/an/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate at 1.25 uM by Line-Weaver-Burk plot analysis


Eur J Med Chem 49: 245-52 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.019
BindingDB Entry DOI: 10.7270/Q2DV1NR2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485276
PNG
(CHEMBL233375)
Show SMILES COc1ccc(\C=C2/SC(=O)NC2=O)cc1O
Show InChI InChI=1S/C11H9NO4S/c1-16-8-3-2-6(4-7(8)13)5-9-10(14)12-11(15)17-9/h2-5,13H,1H3,(H,12,14,15)/b9-5-
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413n/an/an/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate at 1.25 uM by Line-Weaver-Burk plot analysis


Eur J Med Chem 49: 245-52 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.019
BindingDB Entry DOI: 10.7270/Q2DV1NR2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM33932
PNG
(4-(3H-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,5-...)
Show SMILES Oc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)16-13/h1-8,15H
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567n/an/an/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase at 1.25 uM by Lineweaver-burk plot analysis


Bioorg Med Chem Lett 21: 2445-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.064
BindingDB Entry DOI: 10.7270/Q2PN95XZ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50339940
PNG
(4-(Benzo[d]thiazol-2-yl)benzene-1,3-diol | CHEMBL1...)
Show SMILES Oc1ccc(-c2nc3ccccc3s2)c(O)c1
Show InChI InChI=1S/C13H9NO2S/c15-8-5-6-9(11(16)7-8)13-14-10-3-1-2-4-12(10)17-13/h1-7,15-16H
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673n/an/an/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase at 1.25 uM by Lineweaver-burk plot analysis


Bioorg Med Chem Lett 21: 2445-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.064
BindingDB Entry DOI: 10.7270/Q2PN95XZ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM60579
PNG
((5Z)-5-(4-hydroxybenzylidene)thiazolidine-2,4-quin...)
Show SMILES Oc1ccc(\C=C2/SC(=O)NC2=O)cc1
Show InChI InChI=1S/C10H7NO3S/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)/b8-5-
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840n/an/an/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate at 20 uM by Line-Weaver-Burk plot analysis


Eur J Med Chem 49: 245-52 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.019
BindingDB Entry DOI: 10.7270/Q2DV1NR2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485276
PNG
(CHEMBL233375)
Show SMILES COc1ccc(\C=C2/SC(=O)NC2=O)cc1O
Show InChI InChI=1S/C11H9NO4S/c1-16-8-3-2-6(4-7(8)13)5-9-10(14)12-11(15)17-9/h2-5,13H,1H3,(H,12,14,15)/b9-5-
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1.38E+3n/an/an/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate at 20 uM by Line-Weaver-Burk plot analysis


Eur J Med Chem 49: 245-52 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.019
BindingDB Entry DOI: 10.7270/Q2DV1NR2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM33932
PNG
(4-(3H-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,5-...)
Show SMILES Oc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)16-13/h1-8,15H
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1.70E+3n/an/an/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase at 20 uM by Lineweaver-burk plot analysis


Bioorg Med Chem Lett 21: 2445-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.064
BindingDB Entry DOI: 10.7270/Q2PN95XZ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50339940
PNG
(4-(Benzo[d]thiazol-2-yl)benzene-1,3-diol | CHEMBL1...)
Show SMILES Oc1ccc(-c2nc3ccccc3s2)c(O)c1
Show InChI InChI=1S/C13H9NO2S/c15-8-5-6-9(11(16)7-8)13-14-10-3-1-2-4-12(10)17-13/h1-7,15-16H
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7.70E+3n/an/an/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase at 20 uM by Lineweaver-burk plot analysis


Bioorg Med Chem Lett 21: 2445-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.064
BindingDB Entry DOI: 10.7270/Q2PN95XZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM13065
PNG
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
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n/an/a 10n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluore...


Eur J Med Chem 180: 86-98 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.016
BindingDB Entry DOI: 10.7270/Q2T43XHG
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50339940
PNG
(4-(Benzo[d]thiazol-2-yl)benzene-1,3-diol | CHEMBL1...)
Show SMILES Oc1ccc(-c2nc3ccccc3s2)c(O)c1
Show InChI InChI=1S/C13H9NO2S/c15-8-5-6-9(11(16)7-8)13-14-10-3-1-2-4-12(10)17-13/h1-7,15-16H
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n/an/a 10n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as a substrate


Bioorg Med Chem Lett 21: 2445-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.064
BindingDB Entry DOI: 10.7270/Q2PN95XZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50029600
PNG
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
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n/an/a 20n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mi...


Eur J Med Chem 180: 86-98 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.016
BindingDB Entry DOI: 10.7270/Q2T43XHG
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50197244
PNG
(4-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol | CHE...)
Show SMILES Oc1ccc(c(O)c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O3/c17-13-4-3-10-7-12(2-1-11(10)8-13)15-6-5-14(18)9-16(15)19/h1-9,17-19H
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n/an/a 34n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 17: 461-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.025
BindingDB Entry DOI: 10.7270/Q20P0ZNM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50197242
PNG
(7-(3,5-dihydroxyphenyl)naphthalene-1,3-diol | CHEM...)
Show SMILES Oc1cc(O)cc(c1)-c1ccc2cc(O)cc(O)c2c1
Show InChI InChI=1S/C16H12O4/c17-12-4-11(5-13(18)7-12)9-1-2-10-3-14(19)8-16(20)15(10)6-9/h1-8,17-20H
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n/an/a 490n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 17: 461-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.025
BindingDB Entry DOI: 10.7270/Q20P0ZNM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50492368
PNG
(CHEMBL2401797)
Show SMILES Oc1ccc(-c2nc3cc4CCCc4cc3s2)c(O)c1
Show InChI InChI=1S/C16H13NO2S/c18-11-4-5-12(14(19)8-11)16-17-13-6-9-2-1-3-10(9)7-15(13)20-16/h4-8,18-19H,1-3H2
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n/an/a 500n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as amount of dopachrome produced after 30 mins by spectrophotometry


Bioorg Med Chem Lett 23: 4172-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.029
BindingDB Entry DOI: 10.7270/Q2Q52SJ9
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM33932
PNG
(4-(3H-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,5-...)
Show SMILES Oc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)16-13/h1-8,15H
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n/an/a 1.14E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as a substrate


Bioorg Med Chem Lett 21: 2445-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.064
BindingDB Entry DOI: 10.7270/Q2PN95XZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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n/an/a 1.24E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mi...


Eur J Med Chem 180: 86-98 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.016
BindingDB Entry DOI: 10.7270/Q2T43XHG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 1.31E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mi...


Eur J Med Chem 180: 86-98 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.016
BindingDB Entry DOI: 10.7270/Q2T43XHG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50197243
PNG
(5-(6-hydroxy-2-naphthyl)-1,2,3-benzenetriol | 5-(6...)
Show SMILES Oc1ccc2cc(ccc2c1)-c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H12O4/c17-13-4-3-9-5-10(1-2-11(9)6-13)12-7-14(18)16(20)15(19)8-12/h1-8,17-20H
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n/an/a 2.95E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as inhibition of oxidation L-DOPA


Bioorg Med Chem Lett 20: 4882-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.087
BindingDB Entry DOI: 10.7270/Q26M370Q
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50197243
PNG
(5-(6-hydroxy-2-naphthyl)-1,2,3-benzenetriol | 5-(6...)
Show SMILES Oc1ccc2cc(ccc2c1)-c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H12O4/c17-13-4-3-9-5-10(1-2-11(9)6-13)12-7-14(18)16(20)15(19)8-12/h1-8,17-20H
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n/an/a 2.95E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 17: 461-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.025
BindingDB Entry DOI: 10.7270/Q20P0ZNM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50197243
PNG
(5-(6-hydroxy-2-naphthyl)-1,2,3-benzenetriol | 5-(6...)
Show SMILES Oc1ccc2cc(ccc2c1)-c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H12O4/c17-13-4-3-9-5-10(1-2-11(9)6-13)12-7-14(18)16(20)15(19)8-12/h1-8,17-20H
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n/an/a 2.95E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 20: 4882-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.087
BindingDB Entry DOI: 10.7270/Q26M370Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50029600
PNG
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
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n/an/a>3.00E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluore...


Eur J Med Chem 180: 86-98 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.016
BindingDB Entry DOI: 10.7270/Q2T43XHG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM13065
PNG
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
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n/an/a>3.30E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mi...


Eur J Med Chem 180: 86-98 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.016
BindingDB Entry DOI: 10.7270/Q2T43XHG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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n/an/a 4.12E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluore...


Eur J Med Chem 180: 86-98 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.016
BindingDB Entry DOI: 10.7270/Q2T43XHG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 6.12E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluore...


Eur J Med Chem 180: 86-98 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.016
BindingDB Entry DOI: 10.7270/Q2T43XHG
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50168371
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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n/an/a 6.40E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 17: 461-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.025
BindingDB Entry DOI: 10.7270/Q20P0ZNM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM60918
PNG
(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
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n/an/a 7.53E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mi...


Eur J Med Chem 180: 86-98 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.016
BindingDB Entry DOI: 10.7270/Q2T43XHG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50528483
PNG
(CHEMBL4448450)
Show SMILES Clc1ccc(Cn2cc(C(=O)N\N=C\c3ccc(cc3)C#N)c3ccccc23)cc1
Show InChI InChI=1S/C24H17ClN4O/c25-20-11-9-19(10-12-20)15-29-16-22(21-3-1-2-4-23(21)29)24(30)28-27-14-18-7-5-17(13-26)6-8-18/h1-12,14,16H,15H2,(H,28,30)/b27-14+
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n/an/a 7.59E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mi...


Eur J Med Chem 180: 86-98 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.016
BindingDB Entry DOI: 10.7270/Q2T43XHG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM60918
PNG
(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
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n/an/a 7.73E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluore...


Eur J Med Chem 180: 86-98 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.016
BindingDB Entry DOI: 10.7270/Q2T43XHG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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n/an/a 8.91E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mi...


Eur J Med Chem 180: 86-98 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.016
BindingDB Entry DOI: 10.7270/Q2T43XHG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485276
PNG
(CHEMBL233375)
Show SMILES COc1ccc(\C=C2/SC(=O)NC2=O)cc1O
Show InChI InChI=1S/C11H9NO4S/c1-16-8-3-2-6(4-7(8)13)5-9-10(14)12-11(15)17-9/h2-5,13H,1H3,(H,12,14,15)/b9-5-
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n/an/a 9.87E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate after 30 mins by spectrophotometric analysis


Eur J Med Chem 49: 245-52 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.019
BindingDB Entry DOI: 10.7270/Q2DV1NR2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 1.24E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mi...


Eur J Med Chem 180: 86-98 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.016
BindingDB Entry DOI: 10.7270/Q2T43XHG
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM60579
PNG
((5Z)-5-(4-hydroxybenzylidene)thiazolidine-2,4-quin...)
Show SMILES Oc1ccc(\C=C2/SC(=O)NC2=O)cc1
Show InChI InChI=1S/C10H7NO3S/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)/b8-5-
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n/an/a 1.34E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate after 30 mins by spectrophotometric analysis


Eur J Med Chem 49: 245-52 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.019
BindingDB Entry DOI: 10.7270/Q2DV1NR2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50186767
PNG
(5-(6-Hydroxy-naphthalen-2-yl)-benzene-1,3-diol | 5...)
Show SMILES Oc1cc(O)cc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O3/c17-14-4-3-10-5-11(1-2-12(10)6-14)13-7-15(18)9-16(19)8-13/h1-9,17-19H
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n/an/a 1.65E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 17: 461-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.025
BindingDB Entry DOI: 10.7270/Q20P0ZNM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50031467
PNG
(5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...)
Show SMILES OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
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n/an/a 1.85E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as a substrate


Bioorg Med Chem Lett 21: 2445-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.064
BindingDB Entry DOI: 10.7270/Q2PN95XZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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n/an/a 1.88E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluore...


Eur J Med Chem 180: 86-98 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.016
BindingDB Entry DOI: 10.7270/Q2T43XHG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50031467
PNG
(5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...)
Show SMILES OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
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n/an/a 2.47E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate after 30 mins by spectrophotometric analysis


Eur J Med Chem 49: 245-52 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.019
BindingDB Entry DOI: 10.7270/Q2DV1NR2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 2.66E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 22: 7451-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.050
BindingDB Entry DOI: 10.7270/Q2GX4FF0
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM26190
PNG
(1,4-Dihydroxybenzene, XIII | 1,4-dihydroxybenzene ...)
Show SMILES Oc1ccc(O)cc1
Show InChI InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
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n/an/a 3.35E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 17: 461-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.025
BindingDB Entry DOI: 10.7270/Q20P0ZNM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM26190
PNG
(1,4-Dihydroxybenzene, XIII | 1,4-dihydroxybenzene ...)
Show SMILES Oc1ccc(O)cc1
Show InChI InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
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n/an/a 3.35E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 20: 4882-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.087
BindingDB Entry DOI: 10.7270/Q26M370Q
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50486146
PNG
(Azo-Resveratrol | CHEMBL2208146)
Show SMILES Oc1ccc(cc1)\N=N\c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H10N2O3/c15-10-3-1-8(2-4-10)13-14-9-5-11(16)7-12(17)6-9/h1-7,15-17H/b14-13+
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n/an/a 3.63E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 22: 7451-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.050
BindingDB Entry DOI: 10.7270/Q2GX4FF0
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50031467
PNG
(5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...)
Show SMILES OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
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n/an/a 3.82E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 20: 4882-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.087
BindingDB Entry DOI: 10.7270/Q26M370Q
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50031467
PNG
(5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...)
Show SMILES OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
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n/an/a 3.82E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 17: 461-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.025
BindingDB Entry DOI: 10.7270/Q20P0ZNM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50528483
PNG
(CHEMBL4448450)
Show SMILES Clc1ccc(Cn2cc(C(=O)N\N=C\c3ccc(cc3)C#N)c3ccccc23)cc1
Show InChI InChI=1S/C24H17ClN4O/c25-20-11-9-19(10-12-20)15-29-16-22(21-3-1-2-4-23(21)29)24(30)28-27-14-18-7-5-17(13-26)6-8-18/h1-12,14,16H,15H2,(H,28,30)/b27-14+
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n/an/a 3.92E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluore...


Eur J Med Chem 180: 86-98 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.016
BindingDB Entry DOI: 10.7270/Q2T43XHG
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50486145
PNG
(CHEMBL2208145)
Show SMILES COc1cc(OC)cc(c1)\N=N\c1ccc(O)cc1
Show InChI InChI=1S/C14H14N2O3/c1-18-13-7-11(8-14(9-13)19-2)16-15-10-3-5-12(17)6-4-10/h3-9,17H,1-2H3/b16-15+
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n/an/a 5.02E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 22: 7451-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.050
BindingDB Entry DOI: 10.7270/Q2GX4FF0
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50031467
PNG
(5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...)
Show SMILES OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
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PubMed
n/an/a 5.40E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as amount of dopachrome produced after 30 mins by spectrophotometry


Bioorg Med Chem Lett 23: 4172-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.029
BindingDB Entry DOI: 10.7270/Q2Q52SJ9
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 5.56E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 17: 461-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.025
BindingDB Entry DOI: 10.7270/Q20P0ZNM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 5.56E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 20: 4882-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.087
BindingDB Entry DOI: 10.7270/Q26M370Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
PDB

KEGG

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n/an/a>1.00E+5n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluore...


Eur J Med Chem 180: 86-98 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.016
BindingDB Entry DOI: 10.7270/Q2T43XHG
More data for this
Ligand-Target Pair