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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50004640   
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))
BDBM50359632
PNG
(CHEMBL1928641)
Show SMILES Oc1ccc(cc1)C(=O)OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C13H10O6/c14-9-3-1-8(2-4-9)13(17)19-6-10-5-11(15)12(16)7-18-10/h1-5,7,14,16H,6H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485146
PNG
(CHEMBL2031845)
Show SMILES COc1ccc(cc1)C(=O)OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C14H12O6/c1-18-10-4-2-9(3-5-10)14(17)20-7-11-6-12(15)13(16)8-19-11/h2-6,8,16H,7H2,1H3
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n/an/a 2.03E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485146
PNG
(CHEMBL2031845)
Show SMILES COc1ccc(cc1)C(=O)OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C14H12O6/c1-18-10-4-2-9(3-5-10)14(17)20-7-11-6-12(15)13(16)8-19-11/h2-6,8,16H,7H2,1H3
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n/an/a 2.05E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50359632
PNG
(CHEMBL1928641)
Show SMILES Oc1ccc(cc1)C(=O)OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C13H10O6/c14-9-3-1-8(2-4-9)13(17)19-6-10-5-11(15)12(16)7-18-10/h1-5,7,14,16H,6H2
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n/an/a 2.80E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485139
PNG
(CHEMBL2031848)
Show SMILES COc1ccc(C(=O)OCc2cc(=O)c(O)co2)c(OC)c1
Show InChI InChI=1S/C15H14O7/c1-19-9-3-4-11(14(6-9)20-2)15(18)22-7-10-5-12(16)13(17)8-21-10/h3-6,8,17H,7H2,1-2H3
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n/an/a 3.23E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485145
PNG
(CHEMBL2031846)
Show SMILES Oc1ccc(C(=O)OCc2cc(=O)c(O)co2)c(O)c1
Show InChI InChI=1S/C13H10O7/c14-7-1-2-9(10(15)3-7)13(18)20-5-8-4-11(16)12(17)6-19-8/h1-4,6,14-15,17H,5H2
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n/an/a 3.51E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485145
PNG
(CHEMBL2031846)
Show SMILES Oc1ccc(C(=O)OCc2cc(=O)c(O)co2)c(O)c1
Show InChI InChI=1S/C13H10O7/c14-7-1-2-9(10(15)3-7)13(18)20-5-8-4-11(16)12(17)6-19-8/h1-4,6,14-15,17H,5H2
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n/an/a 3.61E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485139
PNG
(CHEMBL2031848)
Show SMILES COc1ccc(C(=O)OCc2cc(=O)c(O)co2)c(OC)c1
Show InChI InChI=1S/C15H14O7/c1-19-9-3-4-11(14(6-9)20-2)15(18)22-7-10-5-12(16)13(17)8-21-10/h3-6,8,17H,7H2,1-2H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
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 1.00E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485140
PNG
(CHEMBL2031847)
Show SMILES COc1ccc(C(=O)OCc2cc(=O)c(O)co2)c(O)c1
Show InChI InChI=1S/C14H12O7/c1-19-8-2-3-10(11(15)4-8)14(18)21-6-9-5-12(16)13(17)7-20-9/h2-5,7,15,17H,6H2,1H3
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n/an/a 1.06E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485140
PNG
(CHEMBL2031847)
Show SMILES COc1ccc(C(=O)OCc2cc(=O)c(O)co2)c(O)c1
Show InChI InChI=1S/C14H12O7/c1-19-8-2-3-10(11(15)4-8)14(18)21-6-9-5-12(16)13(17)7-20-9/h2-5,7,15,17H,6H2,1H3
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n/an/a 2.01E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
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 6.51E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
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 1.87E+5n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485141
PNG
(CHEMBL2031849)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)C(=O)OCc1cc(=O)c(O)co1 |TLB:7:8:11:15.13.14,THB:13:12:9:15.14.16,13:14:11.12.17:9,16:14:11:17.8.9,16:8:11:15.13.14|
Show InChI InChI=1S/C24H26O6/c1-28-22-3-2-17(23(27)30-12-18-8-20(25)21(26)13-29-18)7-19(22)24-9-14-4-15(10-24)6-16(5-14)11-24/h2-3,7-8,13-16,26H,4-6,9-12H2,1H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485142
PNG
(CHEMBL2031852)
Show SMILES COc1cc(O)c(cc1C12CC3CC(CC(C3)C1)C2)C(=O)OCc1cc(=O)c(O)co1 |TLB:8:9:12:16.14.15,THB:14:13:10:16.15.17,14:15:12.13.18:10,17:15:12:18.9.10,17:9:12:16.14.15|
Show InChI InChI=1S/C24H26O7/c1-29-22-7-19(25)17(23(28)31-11-16-5-20(26)21(27)12-30-16)6-18(22)24-8-13-2-14(9-24)4-15(3-13)10-24/h5-7,12-15,25,27H,2-4,8-11H2,1H3
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Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485143
PNG
(CHEMBL2031851)
Show SMILES Oc1cc(O)c(cc1C(=O)OCc1cc(=O)c(O)co1)C12CC3CC(CC(C3)C1)C2 |TLB:5:20:23:27.25.26,THB:25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26|
Show InChI InChI=1S/C23H24O7/c24-18-6-19(25)17(23-7-12-1-13(8-23)3-14(2-12)9-23)5-16(18)22(28)30-10-15-4-20(26)21(27)11-29-15/h4-6,11-14,24-25,27H,1-3,7-10H2
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Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485147
PNG
(CHEMBL2031850)
Show SMILES Oc1ccc(cc1C12CC3CC(CC(C3)C1)C2)C(=O)OCc1cc(=O)c(O)co1 |TLB:6:7:10:14.12.13,THB:12:11:8:14.13.15,12:13:10.11.16:8,15:13:10:16.7.8,15:7:10:14.12.13|
Show InChI InChI=1S/C23H24O6/c24-19-2-1-16(22(27)29-11-17-7-20(25)21(26)12-28-17)6-18(19)23-8-13-3-14(9-23)5-15(4-13)10-23/h1-2,6-7,12-15,24,26H,3-5,8-11H2
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Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485144
PNG
(CHEMBL2031853)
Show SMILES COc1cc(OC)c(cc1C(=O)OCc1cc(=O)c(O)co1)C12CC3CC(CC(C3)C1)C2 |TLB:7:22:25:29.27.28,THB:27:26:23:29.28.30,27:28:25.26.31:23,30:28:25:31.22.23,30:22:25:29.27.28|
Show InChI InChI=1S/C25H28O7/c1-29-22-8-23(30-2)19(25-9-14-3-15(10-25)5-16(4-14)11-25)7-18(22)24(28)32-12-17-6-20(26)21(27)13-31-17/h6-8,13-16,27H,3-5,9-12H2,1-2H3
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Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485143
PNG
(CHEMBL2031851)
Show SMILES Oc1cc(O)c(cc1C(=O)OCc1cc(=O)c(O)co1)C12CC3CC(CC(C3)C1)C2 |TLB:5:20:23:27.25.26,THB:25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26|
Show InChI InChI=1S/C23H24O7/c24-18-6-19(25)17(23-7-12-1-13(8-23)3-14(2-12)9-23)5-16(18)22(28)30-10-15-4-20(26)21(27)11-29-15/h4-6,11-14,24-25,27H,1-3,7-10H2
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n/an/a>2.00E+5n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485141
PNG
(CHEMBL2031849)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)C(=O)OCc1cc(=O)c(O)co1 |TLB:7:8:11:15.13.14,THB:13:12:9:15.14.16,13:14:11.12.17:9,16:14:11:17.8.9,16:8:11:15.13.14|
Show InChI InChI=1S/C24H26O6/c1-28-22-3-2-17(23(27)30-12-18-8-20(25)21(26)13-29-18)7-19(22)24-9-14-4-15(10-24)6-16(5-14)11-24/h2-3,7-8,13-16,26H,4-6,9-12H2,1H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485147
PNG
(CHEMBL2031850)
Show SMILES Oc1ccc(cc1C12CC3CC(CC(C3)C1)C2)C(=O)OCc1cc(=O)c(O)co1 |TLB:6:7:10:14.12.13,THB:12:11:8:14.13.15,12:13:10.11.16:8,15:13:10:16.7.8,15:7:10:14.12.13|
Show InChI InChI=1S/C23H24O6/c24-19-2-1-16(22(27)29-11-17-7-20(25)21(26)12-28-17)6-18(19)23-8-13-3-14(9-23)5-15(4-13)10-23/h1-2,6-7,12-15,24,26H,3-5,8-11H2
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n/an/a>2.00E+5n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485144
PNG
(CHEMBL2031853)
Show SMILES COc1cc(OC)c(cc1C(=O)OCc1cc(=O)c(O)co1)C12CC3CC(CC(C3)C1)C2 |TLB:7:22:25:29.27.28,THB:27:26:23:29.28.30,27:28:25.26.31:23,30:28:25:31.22.23,30:22:25:29.27.28|
Show InChI InChI=1S/C25H28O7/c1-29-22-8-23(30-2)19(25-9-14-3-15(10-25)5-16(4-14)11-25)7-18(22)24(28)32-12-17-6-20(26)21(27)13-31-17/h6-8,13-16,27H,3-5,9-12H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485142
PNG
(CHEMBL2031852)
Show SMILES COc1cc(O)c(cc1C12CC3CC(CC(C3)C1)C2)C(=O)OCc1cc(=O)c(O)co1 |TLB:8:9:12:16.14.15,THB:14:13:10:16.15.17,14:15:12.13.18:10,17:15:12:18.9.10,17:9:12:16.14.15|
Show InChI InChI=1S/C24H26O7/c1-29-22-7-19(25)17(23(28)31-11-16-5-20(26)21(27)12-30-16)6-18(22)24-8-13-2-14(9-24)4-15(3-13)10-24/h5-7,12-15,25,27H,2-4,8-11H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4159-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.046
BindingDB Entry DOI: 10.7270/Q23J3GV6
More data for this
Ligand-Target Pair