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PubMed code 21256757

Compile data set for download or QSAR
Found 16 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))
BDBM50336361
PNG
(4-Hydroxybenzyl 2,4-dihydroxybenzoate | CHEMBL1668...)
Show SMILES Oc1ccc(COC(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C14H12O5/c15-10-3-1-9(2-4-10)8-19-14(18)12-6-5-11(16)7-13(12)17/h1-7,15-17H,8H2
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1.11E+3n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase by Lineweaver-Burk plot analysis


Bioorg Med Chem 19: 1167-71 (2011)


Article DOI: 10.1016/j.bmc.2010.12.051
BindingDB Entry DOI: 10.7270/Q2RJ4JRZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50336361
PNG
(4-Hydroxybenzyl 2,4-dihydroxybenzoate | CHEMBL1668...)
Show SMILES Oc1ccc(COC(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C14H12O5/c15-10-3-1-9(2-4-10)8-19-14(18)12-6-5-11(16)7-13(12)17/h1-7,15-17H,8H2
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n/an/a 4.69E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase preincubated for 20 mins


Bioorg Med Chem 19: 1167-71 (2011)


Article DOI: 10.1016/j.bmc.2010.12.051
BindingDB Entry DOI: 10.7270/Q2RJ4JRZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50336362
PNG
(4-Hydroxybenzyl 3,5-dihydroxybenzoate | CHEMBL1668...)
Show SMILES Oc1ccc(COC(=O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O5/c15-11-3-1-9(2-4-11)8-19-14(18)10-5-12(16)7-13(17)6-10/h1-7,15-17H,8H2
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n/an/a 5.84E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase preincubated for 20 mins


Bioorg Med Chem 19: 1167-71 (2011)


Article DOI: 10.1016/j.bmc.2010.12.051
BindingDB Entry DOI: 10.7270/Q2RJ4JRZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50336366
PNG
(3-Hydroxybenzyl 3,5-dihydroxybenzoate | CHEMBL1668...)
Show SMILES Oc1cccc(COC(=O)c2cc(O)cc(O)c2)c1
Show InChI InChI=1S/C14H12O5/c15-11-3-1-2-9(4-11)8-19-14(18)10-5-12(16)7-13(17)6-10/h1-7,15-17H,8H2
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n/an/a 6.11E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase preincubated for 20 mins


Bioorg Med Chem 19: 1167-71 (2011)


Article DOI: 10.1016/j.bmc.2010.12.051
BindingDB Entry DOI: 10.7270/Q2RJ4JRZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50336368
PNG
(3-Hydroxybenzyl 2,4-dihydroxybenzoate | CHEMBL1668...)
Show SMILES Oc1cccc(COC(=O)c2ccc(O)cc2O)c1
Show InChI InChI=1S/C14H12O5/c15-10-3-1-2-9(6-10)8-19-14(18)12-5-4-11(16)7-13(12)17/h1-7,15-17H,8H2
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n/an/a 6.23E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase preincubated for 20 mins


Bioorg Med Chem 19: 1167-71 (2011)


Article DOI: 10.1016/j.bmc.2010.12.051
BindingDB Entry DOI: 10.7270/Q2RJ4JRZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50336365
PNG
(4-Hydroxybenzyl 2,4,6-dihydroxybenzoate | CHEMBL16...)
Show SMILES Oc1ccc(COC(=O)c2c(O)cc(O)cc2O)cc1
Show InChI InChI=1S/C14H12O6/c15-9-3-1-8(2-4-9)7-20-14(19)13-11(17)5-10(16)6-12(13)18/h1-6,15-18H,7H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase preincubated for 20 mins


Bioorg Med Chem 19: 1167-71 (2011)


Article DOI: 10.1016/j.bmc.2010.12.051
BindingDB Entry DOI: 10.7270/Q2RJ4JRZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50336369
PNG
(3-Hydroxybenzyl gallate | CHEMBL1668057)
Show SMILES Oc1cccc(COC(=O)c2cc(O)c(O)c(O)c2)c1
Show InChI InChI=1S/C14H12O6/c15-10-3-1-2-8(4-10)7-20-14(19)9-5-11(16)13(18)12(17)6-9/h1-6,15-18H,7H2
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n/an/a 1.15E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase preincubated for 20 mins


Bioorg Med Chem 19: 1167-71 (2011)


Article DOI: 10.1016/j.bmc.2010.12.051
BindingDB Entry DOI: 10.7270/Q2RJ4JRZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50336363
PNG
(4-Hydroxybenzyl 2,5-dihydroxybenzoate | CHEMBL1668...)
Show SMILES Oc1ccc(COC(=O)c2cc(O)ccc2O)cc1
Show InChI InChI=1S/C14H12O5/c15-10-3-1-9(2-4-10)8-19-14(18)12-7-11(16)5-6-13(12)17/h1-7,15-17H,8H2
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n/an/a 1.23E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase preincubated for 20 mins


Bioorg Med Chem 19: 1167-71 (2011)


Article DOI: 10.1016/j.bmc.2010.12.051
BindingDB Entry DOI: 10.7270/Q2RJ4JRZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50336370
PNG
(2-Hydroxybenzyl 3,5-dihydroxybenzoate | CHEMBL1668...)
Show SMILES Oc1cc(O)cc(c1)C(=O)OCc1ccccc1O
Show InChI InChI=1S/C14H12O5/c15-11-5-10(6-12(16)7-11)14(18)19-8-9-3-1-2-4-13(9)17/h1-7,15-17H,8H2
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n/an/a 1.99E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase preincubated for 20 mins


Bioorg Med Chem 19: 1167-71 (2011)


Article DOI: 10.1016/j.bmc.2010.12.051
BindingDB Entry DOI: 10.7270/Q2RJ4JRZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50336374
PNG
(2-Hydroxybenzyl 2,4,6-dihydroxybenzoate | CHEMBL16...)
Show SMILES Oc1cc(O)c(C(=O)OCc2ccccc2O)c(O)c1
Show InChI InChI=1S/C14H12O6/c15-9-5-11(17)13(12(18)6-9)14(19)20-7-8-3-1-2-4-10(8)16/h1-6,15-18H,7H2
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n/an/a 1.99E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase preincubated for 20 mins


Bioorg Med Chem 19: 1167-71 (2011)


Article DOI: 10.1016/j.bmc.2010.12.051
BindingDB Entry DOI: 10.7270/Q2RJ4JRZ
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 2.10E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase preincubated for 20 mins


Bioorg Med Chem 19: 1167-71 (2011)


Article DOI: 10.1016/j.bmc.2010.12.051
BindingDB Entry DOI: 10.7270/Q2RJ4JRZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50336367
PNG
(3-Hydroxybenzyl 2,5-dihydroxybenzoate | CHEMBL1668...)
Show SMILES Oc1cccc(COC(=O)c2cc(O)ccc2O)c1
Show InChI InChI=1S/C14H12O5/c15-10-3-1-2-9(6-10)8-19-14(18)12-7-11(16)4-5-13(12)17/h1-7,15-17H,8H2
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n/an/a 2.44E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase preincubated for 20 mins


Bioorg Med Chem 19: 1167-71 (2011)


Article DOI: 10.1016/j.bmc.2010.12.051
BindingDB Entry DOI: 10.7270/Q2RJ4JRZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50336364
PNG
(4-Hydroxybenzyl gallate | CHEMBL1668052)
Show SMILES Oc1ccc(COC(=O)c2cc(O)c(O)c(O)c2)cc1
Show InChI InChI=1S/C14H12O6/c15-10-3-1-8(2-4-10)7-20-14(19)9-5-11(16)13(18)12(17)6-9/h1-6,15-18H,7H2
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n/an/a 2.57E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase preincubated for 20 mins


Bioorg Med Chem 19: 1167-71 (2011)


Article DOI: 10.1016/j.bmc.2010.12.051
BindingDB Entry DOI: 10.7270/Q2RJ4JRZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50336372
PNG
(2-Hydroxybenzyl 2,4-dihydroxybenzoate | CHEMBL1668...)
Show SMILES Oc1ccc(C(=O)OCc2ccccc2O)c(O)c1
Show InChI InChI=1S/C14H12O5/c15-10-5-6-11(13(17)7-10)14(18)19-8-9-3-1-2-4-12(9)16/h1-7,15-17H,8H2
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n/an/a 6.62E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase preincubated for 20 mins


Bioorg Med Chem 19: 1167-71 (2011)


Article DOI: 10.1016/j.bmc.2010.12.051
BindingDB Entry DOI: 10.7270/Q2RJ4JRZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50336371
PNG
(2-Hydroxybenzyl 2,5-dihydroxybenzoate | CHEMBL1668...)
Show SMILES Oc1ccc(O)c(c1)C(=O)OCc1ccccc1O
Show InChI InChI=1S/C14H12O5/c15-10-5-6-13(17)11(7-10)14(18)19-8-9-3-1-2-4-12(9)16/h1-7,15-17H,8H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase preincubated for 20 mins


Bioorg Med Chem 19: 1167-71 (2011)


Article DOI: 10.1016/j.bmc.2010.12.051
BindingDB Entry DOI: 10.7270/Q2RJ4JRZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50336373
PNG
(2-Hydroxybenzyl gallate | CHEMBL1668061)
Show SMILES Oc1ccccc1COC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C14H12O6/c15-10-4-2-1-3-8(10)7-20-14(19)9-5-11(16)13(18)12(17)6-9/h1-6,15-18H,7H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase preincubated for 20 mins


Bioorg Med Chem 19: 1167-71 (2011)


Article DOI: 10.1016/j.bmc.2010.12.051
BindingDB Entry DOI: 10.7270/Q2RJ4JRZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%