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Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'fadda' and Initial = 'mb'   
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))
BDBM50327889
PNG
(5,5'-methylenebis(2-hydroxybenzaldehyde) | CHEMBL1...)
Show SMILES Oc1ccc(Cc2ccc(O)c(C=O)c2)cc1C=O
Show InChI InChI=1S/C15H12O4/c16-8-12-6-10(1-3-14(12)18)5-11-2-4-15(19)13(7-11)9-17/h1-4,6-9,18-19H,5H2
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PubMed
4.80E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase by Lineweaver-Burke double reciprocal plot analysis


Bioorg Med Chem Lett 20: 6138-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.018
BindingDB Entry DOI: 10.7270/Q2N87BSC
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50344062
PNG
(6-Bromo-8-hydroxy-3-(4'-hydroxyphenyl)coumarin | C...)
Show SMILES Oc1ccc(cc1)-c1cc2cc(Br)cc(O)c2oc1=O
Show InChI InChI=1S/C15H9BrO4/c16-10-5-9-6-12(8-1-3-11(17)4-2-8)15(19)20-14(9)13(18)7-10/h1-7,17-18H
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1.89E+5n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Non-competitive inhibition of mushroom tyrosinase using L-3,4- dihydroxyphenylalanine as substrate by Lineweaver-Burk double reciprocal plot analysis


Bioorg Med Chem Lett 21: 3342-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.012
BindingDB Entry DOI: 10.7270/Q2QF8T68
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50292636
PNG
(4-hexyl resorcinol | ACRISORCIN | CHEMBL443605)
Show SMILES CCCCCCc1ccc(O)cc1O
Show InChI InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
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n/an/a 980n/an/an/an/an/an/a



Università degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosine kinase assessed as oxidation of 0.25 mM L-3,4-dihydroxyphenylalanine


Bioorg Med Chem Lett 19: 36-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.020
BindingDB Entry DOI: 10.7270/Q2445MB2
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 8.33E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 10 mins by L-DOPA oxidation assay


Bioorg Med Chem Lett 20: 6138-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.018
BindingDB Entry DOI: 10.7270/Q2N87BSC
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 9.50E+3n/an/an/an/an/an/a



Università degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosine kinase assessed as oxidation of 0.25 mM L-3,4-dihydroxyphenylalanine


Bioorg Med Chem Lett 19: 36-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.020
BindingDB Entry DOI: 10.7270/Q2445MB2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50327889
PNG
(5,5'-methylenebis(2-hydroxybenzaldehyde) | CHEMBL1...)
Show SMILES Oc1ccc(Cc2ccc(O)c(C=O)c2)cc1C=O
Show InChI InChI=1S/C15H12O4/c16-8-12-6-10(1-3-14(12)18)5-11-2-4-15(19)13(7-11)9-17/h1-4,6-9,18-19H,5H2
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n/an/a 7.40E+4n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 10 mins by L-DOPA oxidation assay


Bioorg Med Chem Lett 20: 6138-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.018
BindingDB Entry DOI: 10.7270/Q2N87BSC
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50327893
PNG
(5,5'-methylenebis(2,4-dihydroxybenzaldehyde) | CHE...)
Show SMILES Oc1cc(O)c(C=O)cc1Cc1cc(C=O)c(O)cc1O
Show InChI InChI=1S/C15H12O6/c16-6-10-2-8(12(18)4-14(10)20)1-9-3-11(7-17)15(21)5-13(9)19/h2-7,18-21H,1H2
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n/an/a 7.60E+4n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 10 mins by L-DOPA oxidation assay


Bioorg Med Chem Lett 20: 6138-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.018
BindingDB Entry DOI: 10.7270/Q2N87BSC
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50327891
PNG
(5,5'-methylenebis(2-hydroxy-4-methoxybenzaldehyde)...)
Show SMILES COc1cc(O)c(C=O)cc1Cc1cc(C=O)c(O)cc1OC
Show InChI InChI=1S/C17H16O6/c1-22-16-6-14(20)12(8-18)4-10(16)3-11-5-13(9-19)15(21)7-17(11)23-2/h4-9,20-21H,3H2,1-2H3
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n/an/a 1.17E+5n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 10 mins by L-DOPA oxidation assay


Bioorg Med Chem Lett 20: 6138-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.018
BindingDB Entry DOI: 10.7270/Q2N87BSC
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50344062
PNG
(6-Bromo-8-hydroxy-3-(4'-hydroxyphenyl)coumarin | C...)
Show SMILES Oc1ccc(cc1)-c1cc2cc(Br)cc(O)c2oc1=O
Show InChI InChI=1S/C15H9BrO4/c16-10-5-9-6-12(8-1-3-11(17)4-2-8)15(19)20-14(9)13(18)7-10/h1-7,17-18H
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n/an/a 2.15E+5n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-3,4- dihydroxyphenylalanine as substrate measured for 5 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 3342-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.012
BindingDB Entry DOI: 10.7270/Q2QF8T68
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50344060
PNG
(6-Bromo-8-hydroxy-3-phenylcoumarin | CHEMBL1777847)
Show SMILES Oc1cc(Br)cc2cc(-c3ccccc3)c(=O)oc12
Show InChI InChI=1S/C15H9BrO3/c16-11-6-10-7-12(9-4-2-1-3-5-9)15(18)19-14(10)13(17)8-11/h1-8,17H
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n/an/a 3.02E+5n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-3,4- dihydroxyphenylalanine as substrate measured for 5 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 3342-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.012
BindingDB Entry DOI: 10.7270/Q2QF8T68
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50174558
PNG
(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Show SMILES Oc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
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n/an/a 4.20E+5n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase


Bioorg Med Chem Lett 21: 3342-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.012
BindingDB Entry DOI: 10.7270/Q2QF8T68
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50327892
PNG
(5,5'-methylenebis(2,3-dihydroxybenzaldehyde) | CHE...)
Show SMILES Oc1cc(Cc2cc(O)c(O)c(C=O)c2)cc(C=O)c1O
Show InChI InChI=1S/C15H12O6/c16-6-10-2-8(4-12(18)14(10)20)1-9-3-11(7-17)15(21)13(19)5-9/h2-7,18-21H,1H2
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n/an/a 5.23E+5n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 10 mins by L-DOPA oxidation assay


Bioorg Med Chem Lett 20: 6138-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.018
BindingDB Entry DOI: 10.7270/Q2N87BSC
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50327890
PNG
(5,5'-methylenebis(2-hydroxy-3-methoxybenzaldehyde)...)
Show SMILES COc1cc(Cc2cc(OC)c(O)c(C=O)c2)cc(C=O)c1O
Show InChI InChI=1S/C17H16O6/c1-22-14-6-10(4-12(8-18)16(14)20)3-11-5-13(9-19)17(21)15(7-11)23-2/h4-9,20-21H,3H2,1-2H3
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n/an/a 6.95E+5n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 10 mins by L-DOPA oxidation assay


Bioorg Med Chem Lett 20: 6138-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.018
BindingDB Entry DOI: 10.7270/Q2N87BSC
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50139367
PNG
(2-hydroxybenzaldehyde | CHEMBL108925 | Salicylalde...)
Show SMILES Oc1ccccc1C=O
Show InChI InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
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n/an/a 8.33E+5n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 10 mins by L-DOPA oxidation assay


Bioorg Med Chem Lett 20: 6138-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.018
BindingDB Entry DOI: 10.7270/Q2N87BSC
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50344061
PNG
(8-hydroxy-3-(4'-hydroxy)phenylcoumarin | CHEMBL177...)
Show SMILES Oc1ccc(cc1)-c1cc2cccc(O)c2oc1=O
Show InChI InChI=1S/C15H10O4/c16-11-6-4-9(5-7-11)12-8-10-2-1-3-13(17)14(10)19-15(12)18/h1-8,16-17H
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n/an/a 1.30E+6n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-3,4- dihydroxyphenylalanine as substrate measured for 5 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 3342-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.012
BindingDB Entry DOI: 10.7270/Q2QF8T68
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50344058
PNG
(6-Bromo-8-methoxy-3-(4'-methoxyphenyl)coumarin | C...)
Show SMILES COc1ccc(cc1)-c1cc2cc(Br)cc(OC)c2oc1=O
Show InChI InChI=1S/C17H13BrO4/c1-20-13-5-3-10(4-6-13)14-8-11-7-12(18)9-15(21-2)16(11)22-17(14)19/h3-9H,1-2H3
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n/an/a 1.36E+6n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-3,4- dihydroxyphenylalanine as substrate measured for 5 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 3342-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.012
BindingDB Entry DOI: 10.7270/Q2QF8T68
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM26189
PNG
(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Show SMILES Oc1cccc(O)c1
Show InChI InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
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n/an/a 1.44E+6n/an/an/an/an/an/a



Università degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosine kinase assessed as oxidation of 0.25 mM L-3,4-dihydroxyphenylalanine


Bioorg Med Chem Lett 19: 36-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.020
BindingDB Entry DOI: 10.7270/Q2445MB2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50344055
PNG
(8-Ethoxy-3-phenylcoumarin | CHEMBL1777843)
Show SMILES CCOc1cccc2cc(-c3ccccc3)c(=O)oc12
Show InChI InChI=1S/C17H14O3/c1-2-19-15-10-6-9-13-11-14(17(18)20-16(13)15)12-7-4-3-5-8-12/h3-11H,2H2,1H3
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n/an/a 2.07E+6n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-3,4- dihydroxyphenylalanine as substrate measured for 5 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 3342-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.012
BindingDB Entry DOI: 10.7270/Q2QF8T68
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
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 3.68E+6n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase


Bioorg Med Chem Lett 21: 3342-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.012
BindingDB Entry DOI: 10.7270/Q2QF8T68
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50344059
PNG
(8-Hydroxy-3-phenylcoumarin | CHEMBL1777846)
Show SMILES Oc1cccc2cc(-c3ccccc3)c(=O)oc12
Show InChI InChI=1S/C15H10O3/c16-13-8-4-7-11-9-12(15(17)18-14(11)13)10-5-2-1-3-6-10/h1-9,16H
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-3,4- dihydroxyphenylalanine as substrate measured for 5 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 3342-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.012
BindingDB Entry DOI: 10.7270/Q2QF8T68
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50344056
PNG
(6-Bromo-8-methoxy-3-phenylcoumarin | CHEMBL1777814)
Show SMILES COc1cc(Br)cc2cc(-c3ccccc3)c(=O)oc12
Show InChI InChI=1S/C16H11BrO3/c1-19-14-9-12(17)7-11-8-13(16(18)20-15(11)14)10-5-3-2-4-6-10/h2-9H,1H3
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-3,4- dihydroxyphenylalanine as substrate measured for 5 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 3342-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.012
BindingDB Entry DOI: 10.7270/Q2QF8T68
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50344057
PNG
(8-Ethoxy-3-(4'-methoxyphenyl)coumarin | CHEMBL1777...)
Show SMILES CCOc1cccc2cc(-c3ccc(OC)cc3)c(=O)oc12
Show InChI InChI=1S/C18H16O4/c1-3-21-16-6-4-5-13-11-15(18(19)22-17(13)16)12-7-9-14(20-2)10-8-12/h4-11H,3H2,1-2H3
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-3,4- dihydroxyphenylalanine as substrate measured for 5 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 3342-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.012
BindingDB Entry DOI: 10.7270/Q2QF8T68
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50176525
PNG
(7-hydroxy-3-(3',5'-dihydroxyphenyl)coumarin | CHEM...)
Show SMILES Oc1ccc2cc(-c3cc(O)cc(O)c3)c(=O)oc2c1
Show InChI InChI=1S/C15H10O5/c16-10-2-1-8-5-13(15(19)20-14(8)7-10)9-3-11(17)6-12(18)4-9/h1-7,16-18H
KEGG

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Article
PubMed
n/an/a>1.00E+7n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase


Bioorg Med Chem Lett 21: 3342-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.012
BindingDB Entry DOI: 10.7270/Q2QF8T68
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50096003
PNG
(7-Hydroxy-3-phenyl-chromen-2-one | 7-hydroxy-3-phe...)
Show SMILES Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C15H10O3/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12/h1-9,16H
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Article
PubMed
n/an/a>1.00E+7n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase


Bioorg Med Chem Lett 21: 3342-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.012
BindingDB Entry DOI: 10.7270/Q2QF8T68
More data for this
Ligand-Target Pair