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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50031863   
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))
BDBM50304605
PNG
(5-(4-hydroxyphenyl)-1,3,4-thiadiazole-2(3H)-thione...)
Show SMILES Oc1ccc(cc1)-c1nnc(S)s1
Show InChI InChI=1S/C8H6N2OS2/c11-6-3-1-5(2-4-6)7-9-10-8(12)13-7/h1-4,11H,(H,10,12)
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190n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50320717
PNG
(5,5'-methylenebis(1,3,4-thiadiazole-2(3H)-thione) ...)
Show SMILES Sc1nnc(Cc2nnc(S)s2)s1
Show InChI InChI=1S/C5H4N4S4/c10-4-8-6-2(12-4)1-3-7-9-5(11)13-3/h1H2,(H,8,10)(H,9,11)
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490n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50304602
PNG
(5-(4-(tert-butyldimethylsilyloxy)phenyl)-1,3,4-thi...)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c1nnc(S)s1
Show InChI InChI=1S/C14H20N2OS2Si/c1-14(2,3)20(4,5)17-11-8-6-10(7-9-11)12-15-16-13(18)19-12/h6-9H,1-5H3,(H,16,18)
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530n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50320721
PNG
(4-Amino-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol ...)
Show SMILES Nn1c(n[nH]c1=S)-c1ccncc1
Show InChI InChI=1S/C7H7N5S/c8-12-6(10-11-7(12)13)5-1-3-9-4-2-5/h1-4H,8H2,(H,11,13)
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1.01E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50320718
PNG
(5-phenyl-1,3,4-thiadiazole-2(3H)-thione | CHEMBL59...)
Show SMILES Sc1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C8H6N2S2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11)
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1.31E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50304606
PNG
(5-(4-(benzyloxy)phenyl)-1,3,4-oxadiazole-2(3H)-thi...)
Show SMILES Sc1nnc(o1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C15H12N2O2S/c20-15-17-16-14(19-15)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,20)
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1.35E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50320723
PNG
(4-(5-mercapto-1,3,4-oxadiazol-2-yl)phenol | 5-(4-h...)
Show SMILES Oc1ccc(cc1)-c1nnc(S)o1
Show InChI InChI=1S/C8H6N2O2S/c11-6-3-1-5(2-4-6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13)
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1.77E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50304608
PNG
(5,5'-(propane-1,3-diyl)bis(1,3,4-oxadiazole-2(3H)-...)
Show SMILES Sc1nnc(CCCc2nnc(S)o2)o1
Show InChI InChI=1S/C7H8N4O2S2/c14-6-10-8-4(12-6)2-1-3-5-9-11-7(15)13-5/h1-3H2,(H,10,14)(H,11,15)
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1.90E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50320722
PNG
(4-amino-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5(4H...)
Show SMILES Nn1c(n[nH]c1=S)-c1ccc(O)cc1
Show InChI InChI=1S/C8H8N4OS/c9-12-7(10-11-8(12)14)5-1-3-6(13)4-2-5/h1-4,13H,9H2,(H,11,14)
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2.40E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50304604
PNG
(5-(pyridin-4-yl)-1,3,4-thiadiazole-2(3H)-thione | ...)
Show SMILES Sc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C7H5N3S2/c11-7-10-9-6(12-7)5-1-3-8-4-2-5/h1-4H,(H,10,11)
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2.47E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50320719
PNG
(2,2'-bi(1,3,4-thiadiazole)-5,5'(4H,4'H)-dithione |...)
Show SMILES Sc1nnc(s1)-c1nnc(S)s1
Show InChI InChI=1S/C4H2N4S4/c9-3-7-5-1(11-3)2-6-8-4(10)12-2/h(H,7,9)(H,8,10)
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2.90E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50304607
PNG
(5-(3-(benzyloxy)phenyl)-1,3,4-oxadiazole-2(3H)-thi...)
Show SMILES Sc1nnc(o1)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C15H12N2O2S/c20-15-17-16-14(19-15)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,17,20)
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3.64E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50320724
PNG
(5-benzyl-1,3,4-oxadiazole-2(3H)-thione | CHEMBL116...)
Show SMILES Sc1nnc(Cc2ccccc2)o1
Show InChI InChI=1S/C9H8N2OS/c13-9-11-10-8(12-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)
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3.67E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50304603
PNG
(5,5'-methylenebis(1,3,4-oxadiazole-2(3H)-thione) |...)
Show SMILES Sc1nnc(Cc2nnc(S)o2)o1
Show InChI InChI=1S/C5H4N4O2S2/c12-4-8-6-2(10-4)1-3-7-9-5(13)11-3/h1H2,(H,8,12)(H,9,13)
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4.42E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50320725
PNG
(5-Cyclohexyl-3H-[1,3,4]oxadiazole-2-thione | 5-cyc...)
Show SMILES Sc1nnc(o1)C1CCCCC1
Show InChI InChI=1S/C8H12N2OS/c12-8-10-9-7(11-8)6-4-2-1-3-5-6/h6H,1-5H2,(H,10,12)
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4.94E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50320720
PNG
(5-Diphenylmethyl-1,3,4-thiadiazole-2(3H)-thione | ...)
Show SMILES Sc1nnc(s1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H12N2S2/c18-15-17-16-14(19-15)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,17,18)
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5.20E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50320726
PNG
(5-phenyl-1,3,4-oxadiazole-2(3H)-thione | CHEMBL116...)
Show SMILES Sc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C8H6N2OS/c12-8-10-9-7(11-8)6-4-2-1-3-5-6/h1-5H,(H,10,12)
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6.47E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50320727
PNG
(5-Diphenylmethyl-1,3,4-oxadiazole-2(3H)-thione | 5...)
Show SMILES Sc1nnc(o1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H12N2OS/c19-15-17-16-14(18-15)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,17,19)
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6.76E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50320728
PNG
(5-(pyridin-4-yl)-1,3,4-oxadiazole-2(3H)-thione | 5...)
Show SMILES Sc1nnc(o1)-c1ccncc1
Show InChI InChI=1S/C7H5N3OS/c12-7-10-9-6(11-7)5-1-3-8-4-2-5/h1-4H,(H,10,12)
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1.42E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50320729
PNG
(5-(3-hydroxyphenyl)-1,3,4-oxadiazole-2(3H)-thione ...)
Show SMILES Oc1cccc(c1)-c1nnc(S)o1
Show InChI InChI=1S/C8H6N2O2S/c11-6-3-1-2-5(4-6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13)
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1.85E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
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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2.23E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50320730
PNG
(5-(naphthalen-1-yl)-1,3,4-oxadiazole-2(3H)-thione ...)
Show SMILES Sc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C12H8N2OS/c16-12-14-13-11(15-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,14,16)
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3.36E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50320732
PNG
(4-(benzyloxy)benzohydrazide | CHEMBL1164663)
Show SMILES NNC(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O2/c15-16-14(17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H,16,17)
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4.90E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50320731
PNG
(2,2'-bi(1,3,4-oxadiazole)-5,5'(4H,4'H)-dithione | ...)
Show SMILES Sc1nnc(o1)-c1nnc(S)o1
Show InChI InChI=1S/C4H2N4O2S2/c11-3-7-5-1(9-3)2-6-8-4(12)10-2/h(H,7,11)(H,8,12)
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6.94E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50320733
PNG
(2-naphthohydrazide | CHEMBL153973 | Naphthalene-2-...)
Show SMILES NNC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H10N2O/c12-13-11(14)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,12H2,(H,13,14)
UniProtKB/SwissProt

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MCE
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Article
PubMed
9.96E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50320734
PNG
(4-Hydroxy-benzoic acid hydrazide | 4-hydroxybenzoh...)
Show SMILES NNC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C7H8N2O2/c8-9-7(11)5-1-3-6(10)4-2-5/h1-4,10H,8H2,(H,9,11)
UniProtKB/SwissProt

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CHEMBL
MCE
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PDB
UniChem

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Article
PubMed
1.77E+5n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 4042-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.021
BindingDB Entry DOI: 10.7270/Q2FJ2GZ8
More data for this
Ligand-Target Pair