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Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'rho' and Initial = 'hs'   
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
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085045
PNG
(5-((4-((6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-...)
Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O
Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,26-27H,9-12H2,1-4H3,(H,25,28)
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400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human recombinant PPARgamma by Cheng-Prusoff equation based competitive binding TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.10.010
BindingDB Entry DOI: 10.7270/Q28919F4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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4.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human recombinant PPARalpha by Cheng-Prusoff equation based competitive binding TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.10.010
BindingDB Entry DOI: 10.7270/Q28919F4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50548252
PNG
(CHEMBL4765137)
Show SMILES COc1cccc(\C=C\C(=O)OCc2cc(=O)c(O)co2)c1OC
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6.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human recombinant PPARgamma by Cheng-Prusoff equation based competitive binding TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.10.010
BindingDB Entry DOI: 10.7270/Q28919F4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50548251
PNG
(CHEMBL4797877)
Show SMILES COc1ccc(OC)c(\C=C\C(=O)OCc2cc(=O)c(O)co2)c1
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7.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human recombinant PPARgamma by Cheng-Prusoff equation based competitive binding TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.10.010
BindingDB Entry DOI: 10.7270/Q28919F4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50548252
PNG
(CHEMBL4765137)
Show SMILES COc1cccc(\C=C\C(=O)OCc2cc(=O)c(O)co2)c1OC
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8.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human recombinant PPARalpha by Cheng-Prusoff equation based competitive binding TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.10.010
BindingDB Entry DOI: 10.7270/Q28919F4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50548251
PNG
(CHEMBL4797877)
Show SMILES COc1ccc(OC)c(\C=C\C(=O)OCc2cc(=O)c(O)co2)c1
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9.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human recombinant PPARalpha by Cheng-Prusoff equation based competitive binding TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.10.010
BindingDB Entry DOI: 10.7270/Q28919F4
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330115
PNG
(2-(cyclohexylthiomethyl)-5-hydroxy-4H-pyran-4-one ...)
Show SMILES Oc1coc(CSC2CCCCC2)cc1=O
Show InChI InChI=1S/C12H16O3S/c13-11-6-9(15-7-12(11)14)8-16-10-4-2-1-3-5-10/h6-7,10,14H,1-5,8H2
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n/an/a 87n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330111
PNG
(5-hydroxy-2-(pentylthiomethyl)-4H-pyran-4-one | CH...)
Show SMILES CCCCCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C11H16O3S/c1-2-3-4-5-15-8-9-6-10(12)11(13)7-14-9/h6-7,13H,2-5,8H2,1H3
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n/an/a 97n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50248158
PNG
(CHEMBL450195 | N-butylresorcinol | US8993596, 4-Bu...)
Show SMILES CCCCc1ccc(O)cc1O
Show InChI InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3
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n/an/a 150n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330112
PNG
(2-(hexylthiomethyl)-5-hydroxy-4H-pyran-4-one | CHE...)
Show SMILES CCCCCCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C12H18O3S/c1-2-3-4-5-6-16-9-10-7-11(13)12(14)8-15-10/h7-8,14H,2-6,9H2,1H3
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n/an/a 190n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50484888
PNG
(CHEMBL2011797)
Show SMILES COc1ccc(C(=O)NCc2ccc(O)cc2O)c(O)c1
Show InChI InChI=1S/C15H15NO5/c1-21-11-4-5-12(14(19)7-11)15(20)16-8-9-2-3-10(17)6-13(9)18/h2-7,17-19H,8H2,1H3,(H,16,20)
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n/an/a 300n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 22: 2110-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.144
BindingDB Entry DOI: 10.7270/Q2T72M9Q
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50484884
PNG
(CHEMBL2011798)
Show SMILES COc1ccc(C(=O)NCc2ccc(O)cc2O)c(OC)c1
Show InChI InChI=1S/C16H17NO5/c1-21-12-5-6-13(15(8-12)22-2)16(20)17-9-10-3-4-11(18)7-14(10)19/h3-8,18-19H,9H2,1-2H3,(H,17,20)
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n/an/a 400n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 22: 2110-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.144
BindingDB Entry DOI: 10.7270/Q2T72M9Q
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50484882
PNG
(CHEMBL2011795)
Show SMILES COc1cc(O)c(cc1C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc(O)cc1O |TLB:8:9:12:16.14.15,THB:14:13:10:16.15.17,14:15:12.13.18:10,17:15:12:18.9.10,17:9:12:16.14.15|
Show InChI InChI=1S/C25H29NO5/c1-31-23-9-22(29)19(24(30)26-13-17-2-3-18(27)7-21(17)28)8-20(23)25-10-14-4-15(11-25)6-16(5-14)12-25/h2-3,7-9,14-16,27-29H,4-6,10-13H2,1H3,(H,26,30)
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n/an/a 800n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 22: 2110-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.144
BindingDB Entry DOI: 10.7270/Q2T72M9Q
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50248201
PNG
(4-adamantyl resorcinol | CHEMBL474953)
Show SMILES Oc1ccc(c(O)c1)C12CC3CC(CC(C3)C1)C2 |TLB:11:12:10.9.15:16,THB:13:12:9:15.14.16,13:14:11.12.17:9,11:10:12.17.13:16|
Show InChI InChI=1S/C16H20O2/c17-13-1-2-14(15(18)6-13)16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12,17-18H,3-5,7-9H2
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n/an/a 900n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50484886
PNG
(CHEMBL2011799)
Show SMILES Oc1ccc(CNC(=O)c2ccc(O)c(c2)C23CC4CC(CC(C4)C2)C3)c(O)c1 |TLB:14:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
Show InChI InChI=1S/C24H27NO4/c26-19-3-1-18(22(28)9-19)13-25-23(29)17-2-4-21(27)20(8-17)24-10-14-5-15(11-24)7-16(6-14)12-24/h1-4,8-9,14-16,26-28H,5-7,10-13H2,(H,25,29)
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n/an/a 900n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 22: 2110-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.144
BindingDB Entry DOI: 10.7270/Q2T72M9Q
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50183707
PNG
(CHEMBL205299 | N-(2,4-dihydroxybenzyl)-2,4-dihydro...)
Show SMILES Oc1ccc(CNC(=O)c2ccc(O)cc2O)c(O)c1
Show InChI InChI=1S/C14H13NO5/c16-9-2-1-8(12(18)5-9)7-15-14(20)11-4-3-10(17)6-13(11)19/h1-6,16-19H,7H2,(H,15,20)
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n/an/a 900n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 22: 2110-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.144
BindingDB Entry DOI: 10.7270/Q2T72M9Q
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50484883
PNG
(CHEMBL2011796)
Show SMILES COc1cc(OC)c(cc1C(=O)NCc1ccc(O)cc1O)C12CC3CC(CC(C3)C1)C2 |TLB:7:22:25:29.27.28,THB:27:26:23:29.28.30,27:28:25.26.31:23,30:28:25:31.22.23,30:22:25:29.27.28|
Show InChI InChI=1S/C26H31NO5/c1-31-23-10-24(32-2)21(26-11-15-5-16(12-26)7-17(6-15)13-26)9-20(23)25(30)27-14-18-3-4-19(28)8-22(18)29/h3-4,8-10,15-17,28-29H,5-7,11-14H2,1-2H3,(H,27,30)
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n/an/a 900n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 22: 2110-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.144
BindingDB Entry DOI: 10.7270/Q2T72M9Q
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50484887
PNG
(CHEMBL2011794)
Show SMILES Oc1ccc(CNC(=O)c2cc(c(O)cc2O)C23CC4CC(CC(C4)C2)C3)c(O)c1 |TLB:11:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
Show InChI InChI=1S/C24H27NO5/c26-17-2-1-16(20(27)6-17)12-25-23(30)18-7-19(22(29)8-21(18)28)24-9-13-3-14(10-24)5-15(4-13)11-24/h1-2,6-8,13-15,26-29H,3-5,9-12H2,(H,25,30)
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n/an/a 1.10E+3n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 22: 2110-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.144
BindingDB Entry DOI: 10.7270/Q2T72M9Q
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50484885
PNG
(CHEMBL2011800)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc(O)cc1O |TLB:7:8:11:15.13.14,THB:13:12:9:15.14.16,13:14:11.12.17:9,16:14:11:17.8.9,16:8:11:15.13.14|
Show InChI InChI=1S/C25H29NO4/c1-30-23-5-3-18(24(29)26-14-19-2-4-20(27)10-22(19)28)9-21(23)25-11-15-6-16(12-25)8-17(7-15)13-25/h2-5,9-10,15-17,27-28H,6-8,11-14H2,1H3,(H,26,29)
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n/an/a 1.40E+3n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 22: 2110-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.144
BindingDB Entry DOI: 10.7270/Q2T72M9Q
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330110
PNG
(2-(butylthiomethyl)-5-hydroxy-4H-pyran-4-one | CHE...)
Show SMILES CCCCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C10H14O3S/c1-2-3-4-14-7-8-5-9(11)10(12)6-13-8/h5-6,12H,2-4,7H2,1H3
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n/an/a 1.48E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50484889
PNG
(CHEMBL2012553)
Show SMILES Oc1coc(COC(=O)\C=C\c2ccc3OCOc3c2)cc1=O
Show InChI InChI=1S/C16H12O7/c17-12-6-11(20-8-13(12)18)7-21-16(19)4-2-10-1-3-14-15(5-10)23-9-22-14/h1-6,8,18H,7,9H2/b4-2+
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n/an/a 1.53E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 22: 2004-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.032
BindingDB Entry DOI: 10.7270/Q2PK0K0Q
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50359632
PNG
(CHEMBL1928641)
Show SMILES Oc1ccc(cc1)C(=O)OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C13H10O6/c14-9-3-1-8(2-4-9)13(17)19-6-10-5-11(15)12(16)7-18-10/h1-5,7,14,16H,6H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330109
PNG
(5-hydroxy-2-(propylthiomethyl)-4H-pyran-4-one | CH...)
Show SMILES CCCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C9H12O3S/c1-2-3-13-6-7-4-8(10)9(11)5-12-7/h4-5,11H,2-3,6H2,1H3
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n/an/a 1.93E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485146
PNG
(CHEMBL2031845)
Show SMILES COc1ccc(cc1)C(=O)OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C14H12O6/c1-18-10-4-2-9(3-5-10)14(17)20-7-11-6-12(15)13(16)8-19-11/h2-6,8,16H,7H2,1H3
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n/an/a 2.03E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485146
PNG
(CHEMBL2031845)
Show SMILES COc1ccc(cc1)C(=O)OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C14H12O6/c1-18-10-4-2-9(3-5-10)14(17)20-7-11-6-12(15)13(16)8-19-11/h2-6,8,16H,7H2,1H3
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n/an/a 2.05E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330108
PNG
(2-(ethylthiomethyl)-5-hydroxy-4H-pyran-4-one | CHE...)
Show SMILES CCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C8H10O3S/c1-2-12-5-6-3-7(9)8(10)4-11-6/h3-4,10H,2,5H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330113
PNG
(2-(heptylthiomethyl)-5-hydroxy-4H-pyran-4-one | CH...)
Show SMILES CCCCCCCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C13H20O3S/c1-2-3-4-5-6-7-17-10-11-8-12(14)13(15)9-16-11/h8-9,15H,2-7,10H2,1H3
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n/an/a 2.65E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50359632
PNG
(CHEMBL1928641)
Show SMILES Oc1ccc(cc1)C(=O)OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C13H10O6/c14-9-3-1-8(2-4-9)13(17)19-6-10-5-11(15)12(16)7-18-10/h1-5,7,14,16H,6H2
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n/an/a 2.80E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485139
PNG
(CHEMBL2031848)
Show SMILES COc1ccc(C(=O)OCc2cc(=O)c(O)co2)c(OC)c1
Show InChI InChI=1S/C15H14O7/c1-19-9-3-4-11(14(6-9)20-2)15(18)22-7-10-5-12(16)13(17)8-21-10/h3-6,8,17H,7H2,1-2H3
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n/an/a 3.23E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485145
PNG
(CHEMBL2031846)
Show SMILES Oc1ccc(C(=O)OCc2cc(=O)c(O)co2)c(O)c1
Show InChI InChI=1S/C13H10O7/c14-7-1-2-9(10(15)3-7)13(18)20-5-8-4-11(16)12(17)6-19-8/h1-4,6,14-15,17H,5H2
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n/an/a 3.51E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485145
PNG
(CHEMBL2031846)
Show SMILES Oc1ccc(C(=O)OCc2cc(=O)c(O)co2)c(O)c1
Show InChI InChI=1S/C13H10O7/c14-7-1-2-9(10(15)3-7)13(18)20-5-8-4-11(16)12(17)6-19-8/h1-4,6,14-15,17H,5H2
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n/an/a 3.61E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485139
PNG
(CHEMBL2031848)
Show SMILES COc1ccc(C(=O)OCc2cc(=O)c(O)co2)c(OC)c1
Show InChI InChI=1S/C15H14O7/c1-19-9-3-4-11(14(6-9)20-2)15(18)22-7-10-5-12(16)13(17)8-21-10/h3-6,8,17H,7H2,1-2H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50359630
PNG
(CHEMBL1928639)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C20H22O7/c1-10-11(2)18-14(12(3)17(10)23)5-6-20(4,27-18)19(24)26-8-13-7-15(21)16(22)9-25-13/h7,9,22-23H,5-6,8H2,1-4H3
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n/an/a 5.36E+3n/an/an/an/an/an/a



Kyung Hee University Skin Biotechnology Center

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosin as substrate after 20 mins


Bioorg Med Chem Lett 21: 7466-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.122
BindingDB Entry DOI: 10.7270/Q2DR2VZK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50359632
PNG
(CHEMBL1928641)
Show SMILES Oc1ccc(cc1)C(=O)OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C13H10O6/c14-9-3-1-8(2-4-9)13(17)19-6-10-5-11(15)12(16)7-18-10/h1-5,7,14,16H,6H2
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n/an/a 5.51E+3n/an/an/an/an/an/a



Kyung Hee University Skin Biotechnology Center

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosin as substrate after 20 mins


Bioorg Med Chem Lett 21: 7466-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.122
BindingDB Entry DOI: 10.7270/Q2DR2VZK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50359631
PNG
(CHEMBL1928640)
Show SMILES Oc1ccc2cc(ccc2c1)C(=O)OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C17H12O6/c18-13-4-3-10-5-12(2-1-11(10)6-13)17(21)23-8-14-7-15(19)16(20)9-22-14/h1-7,9,18,20H,8H2
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n/an/a 9.65E+3n/an/an/an/an/an/a



Kyung Hee University Skin Biotechnology Center

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosin as substrate after 20 mins


Bioorg Med Chem Lett 21: 7466-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.122
BindingDB Entry DOI: 10.7270/Q2DR2VZK
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 9.81E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
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 1.00E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485140
PNG
(CHEMBL2031847)
Show SMILES COc1ccc(C(=O)OCc2cc(=O)c(O)co2)c(O)c1
Show InChI InChI=1S/C14H12O7/c1-19-8-2-3-10(11(15)4-8)14(18)21-6-9-5-12(16)13(17)7-20-9/h2-5,7,15,17H,6H2,1H3
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n/an/a 1.06E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485140
PNG
(CHEMBL2031847)
Show SMILES COc1ccc(C(=O)OCc2cc(=O)c(O)co2)c(O)c1
Show InChI InChI=1S/C14H12O7/c1-19-8-2-3-10(11(15)4-8)14(18)21-6-9-5-12(16)13(17)7-20-9/h2-5,7,15,17H,6H2,1H3
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n/an/a 2.01E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
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 3.20E+4n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 22: 2110-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.144
BindingDB Entry DOI: 10.7270/Q2T72M9Q
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330114
PNG
(5-hydroxy-2-(octylthiomethyl)-4H-pyran-4-one | CHE...)
Show SMILES CCCCCCCCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C14H22O3S/c1-2-3-4-5-6-7-8-18-11-12-9-13(15)14(16)10-17-12/h9-10,16H,2-8,11H2,1H3
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n/an/a 4.62E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
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 4.85E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 22: 2004-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.032
BindingDB Entry DOI: 10.7270/Q2PK0K0Q
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330120
PNG
(2-(hexylsulfonylmethyl)-5-hydroxy-4H-pyran-4-one |...)
Show SMILES CCCCCCS(=O)(=O)Cc1cc(=O)c(O)co1
Show InChI InChI=1S/C12H18O5S/c1-2-3-4-5-6-18(15,16)9-10-7-11(13)12(14)8-17-10/h7-8,14H,2-6,9H2,1H3
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n/an/a 4.92E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
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 6.51E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330121
PNG
(2-(cyclohexylsulfonylmethyl)-5-hydroxy-4H-pyran-4-...)
Show SMILES Oc1coc(CS(=O)(=O)C2CCCCC2)cc1=O
Show InChI InChI=1S/C12H16O5S/c13-11-6-9(17-7-12(11)14)8-18(15,16)10-4-2-1-3-5-10/h6-7,10,14H,1-5,8H2
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n/an/a 6.90E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
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 6.94E+4n/an/an/an/an/an/a



Kyung Hee University Skin Biotechnology Center

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosin as substrate after 20 mins


Bioorg Med Chem Lett 21: 7466-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.122
BindingDB Entry DOI: 10.7270/Q2DR2VZK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330117
PNG
(2-(hexylsulfinylmethyl)-5-hydroxy-4H-pyran-4-one |...)
Show SMILES CCCCCCS(=O)Cc1cc(=O)c(O)co1
Show InChI InChI=1S/C12H18O4S/c1-2-3-4-5-6-17(15)9-10-7-11(13)12(14)8-16-10/h7-8,14H,2-6,9H2,1H3
UniProtKB/SwissProt

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PC sid
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PubMed
n/an/a 7.38E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330119
PNG
(5-hydroxy-2-(pentylsulfonylmethyl)-4H-pyran-4-one ...)
Show SMILES CCCCCS(=O)(=O)Cc1cc(=O)c(O)co1
Show InChI InChI=1S/C11H16O5S/c1-2-3-4-5-17(14,15)8-9-6-10(12)11(13)7-16-9/h6-7,13H,2-5,8H2,1H3
UniProtKB/SwissProt

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n/an/a 7.66E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330118
PNG
(2-(cyclohexylsulfinylmethyl)-5-hydroxy-4H-pyran-4-...)
Show SMILES Oc1coc(CS(=O)C2CCCCC2)cc1=O
Show InChI InChI=1S/C12H16O4S/c13-11-6-9(16-7-12(11)14)8-17(15)10-4-2-1-3-5-10/h6-7,10,14H,1-5,8H2
UniProtKB/SwissProt

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Article
PubMed
n/an/a 7.90E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330116
PNG
(5-hydroxy-2-(pentylsulfinylmethyl)-4H-pyran-4-one ...)
Show SMILES CCCCCS(=O)Cc1cc(=O)c(O)co1
Show InChI InChI=1S/C11H16O4S/c1-2-3-4-5-16(14)8-9-6-10(12)11(13)7-15-9/h6-7,13H,2-5,8H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 7.99E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
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