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PubMed code 20934336

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosinase


(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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PubMed
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
Tyrosinase


(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
Tyrosinase


(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
Tyrosinase


(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
Tyrosinase


(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
Tyrosinase


(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
Tyrosinase


(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
Tyrosinase


(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
Tyrosinase


(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
Tyrosinase


(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
Tyrosinase


(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
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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
Tyrosinase


(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
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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
Tyrosinase


(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
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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
Tyrosinase


(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
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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
Tyrosinase


(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 8.74E+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
* indicates data uncertainty>20%