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PubMed code 21561780

Compile data set for download or QSAR
Found 20 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
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485661
PNG
(Dalenin)
Show SMILES CC1(C)Oc2cc3OC(CC(=O)c3c(O)c2C=C1)c1ccc(O)cc1O |c:18|
Show InChI InChI=1S/C20H18O6/c1-20(2)6-5-12-16(26-20)9-17-18(19(12)24)14(23)8-15(25-17)11-4-3-10(21)7-13(11)22/h3-7,9,15,21-22,24H,8H2,1-2H3
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1.98E+3n/an/an/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as inhibition constant for compound-free enzyme using as L-tyrosine substrate by spectrophotometric analys...


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485661
PNG
(Dalenin)
Show SMILES CC1(C)Oc2cc3OC(CC(=O)c3c(O)c2C=C1)c1ccc(O)cc1O |c:18|
Show InChI InChI=1S/C20H18O6/c1-20(2)6-5-12-16(26-20)9-17-18(19(12)24)14(23)8-15(25-17)11-4-3-10(21)7-13(11)22/h3-7,9,15,21-22,24H,8H2,1-2H3
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7.60E+3n/an/an/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as inhibition constant for compound-enzyme-substrate complex using as L-tyrosine substrate by spectrophoto...


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
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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2.00E+4n/an/an/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
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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3.00E+4n/an/an/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as inhibition constant for compound-free enzyme using as L-tyrosine substrate by spectrophotometric analys...


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485661
PNG
(Dalenin)
Show SMILES CC1(C)Oc2cc3OC(CC(=O)c3c(O)c2C=C1)c1ccc(O)cc1O |c:18|
Show InChI InChI=1S/C20H18O6/c1-20(2)6-5-12-16(26-20)9-17-18(19(12)24)14(23)8-15(25-17)11-4-3-10(21)7-13(11)22/h3-7,9,15,21-22,24H,8H2,1-2H3
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1.60E+5n/an/an/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as inhibition constant for compound-enzyme-substrate complex using as L-dopamine substrate by spectrophoto...


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485661
PNG
(Dalenin)
Show SMILES CC1(C)Oc2cc3OC(CC(=O)c3c(O)c2C=C1)c1ccc(O)cc1O |c:18|
Show InChI InChI=1S/C20H18O6/c1-20(2)6-5-12-16(26-20)9-17-18(19(12)24)14(23)8-15(25-17)11-4-3-10(21)7-13(11)22/h3-7,9,15,21-22,24H,8H2,1-2H3
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1.60E+5n/an/an/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as inhibition constant for compound-free enzyme using as L-dopamine substrate by spectrophotometric analys...


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485661
PNG
(Dalenin)
Show SMILES CC1(C)Oc2cc3OC(CC(=O)c3c(O)c2C=C1)c1ccc(O)cc1O |c:18|
Show InChI InChI=1S/C20H18O6/c1-20(2)6-5-12-16(26-20)9-17-18(19(12)24)14(23)8-15(25-17)11-4-3-10(21)7-13(11)22/h3-7,9,15,21-22,24H,8H2,1-2H3
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n/an/a 260n/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using as L-tyrosine substrate after 10 mins by spectrophotometric analysis


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50269605
PNG
(CHEMBL465194 | steppogenin)
Show SMILES Oc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)c(O)c1
Show InChI InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using as L-tyrosine substrate after 10 mins by spectrophotometric analysis


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485662
PNG
(CHEMBL2147166)
Show SMILES CCCCC\C=C/C\C=C/CCCc1cc(O)cc(O)c1
Show InChI InChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h6-7,9-10,14-16,20-21H,2-5,8,11-13H2,1H3/b7-6-,10-9-
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n/an/a 1.70E+3n/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
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 1.35E+4n/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using as L-tyrosine substrate after 10 mins by spectrophotometric analysis


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
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 1.86E+4n/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using as L-DOPA substrate after 2 mins by spectrophotometric analysis


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485661
PNG
(Dalenin)
Show SMILES CC1(C)Oc2cc3OC(CC(=O)c3c(O)c2C=C1)c1ccc(O)cc1O |c:18|
Show InChI InChI=1S/C20H18O6/c1-20(2)6-5-12-16(26-20)9-17-18(19(12)24)14(23)8-15(25-17)11-4-3-10(21)7-13(11)22/h3-7,9,15,21-22,24H,8H2,1-2H3
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n/an/a 1.86E+4n/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using as L-DOPA substrate after 2 mins by spectrophotometric analysis


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50269605
PNG
(CHEMBL465194 | steppogenin)
Show SMILES Oc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)c(O)c1
Show InChI InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2
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n/an/a 2.65E+4n/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using as L-DOPA substrate after 2 mins by spectrophotometric analysis


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485662
PNG
(CHEMBL2147166)
Show SMILES CCCCC\C=C/C\C=C/CCCc1cc(O)cc(O)c1
Show InChI InChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h6-7,9-10,14-16,20-21H,2-5,8,11-13H2,1H3/b7-6-,10-9-
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n/an/a 5.19E+4n/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using as L-DOPA substrate after 2 mins by spectrophotometric analysis


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
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 1.29E+5n/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using as L-tyrosine substrate after 10 mins by spectrophotometric analysis


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50351096
PNG
(ASCORBIC ACID)
Show SMILES OC[C@H](O)[C@H]1OC(=O)C(=O)C1O |r|
Show InChI InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-3,5,7-9H,1H2/t2-,3?,5+/m0/s1
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n/an/a 1.40E+5n/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using as L-DOPA substrate after 2 mins by spectrophotometric analysis


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50219502
PNG
(4-hydroxyphenyl beta-D-glucopyranoside | Arbutin |...)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
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n/an/a 1.46E+5n/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM26991
PNG
(CHEMBL1689285 | HSO3- | bisulfite | hydrogen sulfi...)
Show SMILES OS([O-])=O
Show InChI InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1
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n/an/a 2.10E+5n/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
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 1.09E+6n/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using as L-DOPA substrate after 2 mins by spectrophotometric analysis


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50219502
PNG
(4-hydroxyphenyl beta-D-glucopyranoside | Arbutin |...)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
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n/an/a 5.30E+6n/an/an/an/an/an/a



Catholic University of C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using as L-DOPA substrate after 2 mins by spectrophotometric analysis


Bioorg Med Chem 19: 3474-82 (2011)


Article DOI: 10.1016/j.bmc.2011.04.025
BindingDB Entry DOI: 10.7270/Q22Z18DZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%