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Compile Data Set for Download or QSAR

Found 70 hits from AmorePacific Corporation   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330115
PNG
(2-(cyclohexylthiomethyl)-5-hydroxy-4H-pyran-4-one ...)
Show SMILES Oc1coc(CSC2CCCCC2)cc1=O
Show InChI InChI=1S/C12H16O3S/c13-11-6-9(15-7-12(11)14)8-16-10-4-2-1-3-5-10/h6-7,10,14H,1-5,8H2
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n/an/a 87n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330111
PNG
(5-hydroxy-2-(pentylthiomethyl)-4H-pyran-4-one | CH...)
Show SMILES CCCCCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C11H16O3S/c1-2-3-4-5-15-8-9-6-10(12)11(13)7-14-9/h6-7,13H,2-5,8H2,1H3
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n/an/a 97n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50248158
PNG
(CHEMBL450195 | N-butylresorcinol | US8993596, 4-Bu...)
Show SMILES CCCCc1ccc(O)cc1O
Show InChI InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3
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n/an/a 150n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Saccharomyces cerevisiae S288c)
BDBM50153015
PNG
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330112
PNG
(2-(hexylthiomethyl)-5-hydroxy-4H-pyran-4-one | CHE...)
Show SMILES CCCCCCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C12H18O3S/c1-2-3-4-5-6-16-9-10-7-11(13)12(14)8-15-10/h7-8,14H,2-6,9H2,1H3
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n/an/a 190n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD)


(Homo sapiens (Human))
BDBM50153015
PNG
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of 6PGD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Saccharomyces cerevisiae S288c)
BDBM50236531
PNG
((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1
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n/an/a 230n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Saccharomyces cerevisiae S288c)
BDBM50135169
PNG
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Saccharomyces cerevisiae S288c)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 250n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD)


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 720n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of 6PGD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50248201
PNG
(4-adamantyl resorcinol | CHEMBL474953)
Show SMILES Oc1ccc(c(O)c1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C16H20O2/c17-13-1-2-14(15(18)6-13)16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12,17-18H,3-5,7-9H2
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n/an/a 900n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD)


(Homo sapiens (Human))
BDBM50135169
PNG
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1
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n/an/a 1.28E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of 6PGD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD)


(Homo sapiens (Human))
BDBM50236531
PNG
((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1
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n/an/a 1.45E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of 6PGD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330110
PNG
(2-(butylthiomethyl)-5-hydroxy-4H-pyran-4-one | CHE...)
Show SMILES CCCCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C10H14O3S/c1-2-3-4-14-7-8-5-9(11)10(12)6-13-8/h5-6,12H,2-4,7H2,1H3
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n/an/a 1.48E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330109
PNG
(5-hydroxy-2-(propylthiomethyl)-4H-pyran-4-one | CH...)
Show SMILES CCCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C9H12O3S/c1-2-3-13-6-7-4-8(10)9(11)5-12-7/h4-5,11H,2-3,6H2,1H3
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n/an/a 1.93E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330108
PNG
(2-(ethylthiomethyl)-5-hydroxy-4H-pyran-4-one | CHE...)
Show SMILES CCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C8H10O3S/c1-2-12-5-6-3-7(9)8(10)4-11-6/h3-4,10H,2,5H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330113
PNG
(2-(heptylthiomethyl)-5-hydroxy-4H-pyran-4-one | CH...)
Show SMILES CCCCCCCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C13H20O3S/c1-2-3-4-5-6-7-17-10-11-8-12(14)13(15)9-16-11/h8-9,15H,2-7,10H2,1H3
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n/an/a 2.65E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50109690
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(4-hydroxy-phenyl)...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1
Show InChI InChI=1S/C15H14O6/c16-11-3-1-9(2-4-11)5-6-21-15(20)10-7-12(17)14(19)13(18)8-10/h1-4,7-8,16-19H,5-6H2
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n/an/a 4.93E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in Melan-a cells


Bioorg Med Chem Lett 17: 5462-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.032
BindingDB Entry DOI: 10.7270/Q2BZ65RK
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50095997
PNG
(3',4',7-trihydroxyisoflavone | CHEMBL13486)
Show SMILES Oc1ccc2c(c1)occ(-c1ccc(O)c(O)c1)c2=O
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H
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n/an/a 5.23E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse Melan-a cells by ELISA


Bioorg Med Chem Lett 20: 1162-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.021
BindingDB Entry DOI: 10.7270/Q2M045JZ
More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM50209568
PNG
(4',7,8-trihydroxyisoflavone | 7,8,4'-trihydroxyiso...)
Show SMILES Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H
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n/an/a 6.60E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as decrease of superoxide generation


Bioorg Med Chem Lett 18: 5006-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.016
BindingDB Entry DOI: 10.7270/Q2QF8SQK
More data for this
Ligand-Target Pair
Tyrosinase


(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 9.81E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50209568
PNG
(4',7,8-trihydroxyisoflavone | 7,8,4'-trihydroxyiso...)
Show SMILES Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H
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n/an/a 1.12E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse Melan-a cells by ELISA


Bioorg Med Chem Lett 20: 1162-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.021
BindingDB Entry DOI: 10.7270/Q2M045JZ
More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM35440
PNG
(ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...)
Show SMILES O=c1[nH]cnc2n[nH]cc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
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n/an/a 1.14E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as decrease of uric acid generation


Bioorg Med Chem Lett 18: 5006-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.016
BindingDB Entry DOI: 10.7270/Q2QF8SQK
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50219503
PNG
(2-hydroxyphenethyl 3,4,5-trihydroxybenzoate | CHEM...)
Show SMILES Oc1ccccc1CCOC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-11-4-2-1-3-9(11)5-6-21-15(20)10-7-12(17)14(19)13(18)8-10/h1-4,7-8,16-19H,5-6H2
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n/an/a 1.45E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in Melan-a cells


Bioorg Med Chem Lett 17: 5462-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.032
BindingDB Entry DOI: 10.7270/Q2BZ65RK
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50219504
PNG
(3-hydroxyphenethyl 3,4,5-trihydroxybenzoate | CHEM...)
Show SMILES Oc1cccc(CCOC(=O)c2cc(O)c(O)c(O)c2)c1
Show InChI InChI=1S/C15H14O6/c16-11-3-1-2-9(6-11)4-5-21-15(20)10-7-12(17)14(19)13(18)8-10/h1-3,6-8,16-19H,4-5H2
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n/an/a 1.52E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in Melan-a cells


Bioorg Med Chem Lett 17: 5462-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.032
BindingDB Entry DOI: 10.7270/Q2BZ65RK
More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM50095997
PNG
(3',4',7-trihydroxyisoflavone | CHEMBL13486)
Show SMILES Oc1ccc2c(c1)occ(-c1ccc(O)c(O)c1)c2=O
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H
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n/an/a 1.68E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as decrease of superoxide generation


Bioorg Med Chem Lett 18: 5006-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.016
BindingDB Entry DOI: 10.7270/Q2QF8SQK
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Saccharomyces cerevisiae S288c)
BDBM50373221
PNG
(CHEMBL408233)
Show SMILES CCOc1cccc(c1)-c1cc([nH]n1)C(=O)NN=Cc1ccccc1O
Show InChI InChI=1S/C19H18N4O3/c1-2-26-15-8-5-7-13(10-15)16-11-17(22-21-16)19(25)23-20-12-14-6-3-4-9-18(14)24/h3-12,24H,2H2,1H3,(H,21,22)(H,23,25)
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n/an/a 2.18E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM35440
PNG
(ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...)
Show SMILES O=c1[nH]cnc2n[nH]cc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
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n/an/a 2.18E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as decrease of superoxide generation


Bioorg Med Chem Lett 18: 5006-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.016
BindingDB Entry DOI: 10.7270/Q2QF8SQK
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
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
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 3.03E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in Melan-a cells


Bioorg Med Chem Lett 17: 5462-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.032
BindingDB Entry DOI: 10.7270/Q2BZ65RK
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
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
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 3.03E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse Melan-a cells by ELISA


Bioorg Med Chem Lett 20: 1162-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.021
BindingDB Entry DOI: 10.7270/Q2M045JZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330114
PNG
(5-hydroxy-2-(octylthiomethyl)-4H-pyran-4-one | CHE...)
Show SMILES CCCCCCCCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C14H22O3S/c1-2-3-4-5-6-7-8-18-11-12-9-13(15)14(16)10-17-12/h9-10,16H,2-8,11H2,1H3
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n/an/a 4.62E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330120
PNG
(2-(hexylsulfonylmethyl)-5-hydroxy-4H-pyran-4-one |...)
Show SMILES CCCCCCS(=O)(=O)Cc1cc(=O)c(O)co1
Show InChI InChI=1S/C12H18O5S/c1-2-3-4-5-6-18(15,16)9-10-7-11(13)12(14)8-17-10/h7-8,14H,2-6,9H2,1H3
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n/an/a 4.92E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Saccharomyces cerevisiae S288c)
BDBM50373222
PNG
(CHEMBL408232)
Show SMILES Oc1cccc(C=NNC(=S)NN=Cc2cccc(O)c2O)c1O
Show InChI InChI=1S/C15H14N4O4S/c20-11-5-1-3-9(13(11)22)7-16-18-15(24)19-17-8-10-4-2-6-12(21)14(10)23/h1-8,20-23H,(H2,18,19,24)
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n/an/a 5.64E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330121
PNG
(2-(cyclohexylsulfonylmethyl)-5-hydroxy-4H-pyran-4-...)
Show SMILES Oc1coc(CS(=O)(=O)C2CCCCC2)cc1=O
Show InChI InChI=1S/C12H16O5S/c13-11-6-9(17-7-12(11)14)8-18(15,16)10-4-2-1-3-5-10/h6-7,10,14H,1-5,8H2
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n/an/a 6.90E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330117
PNG
(2-(hexylsulfinylmethyl)-5-hydroxy-4H-pyran-4-one |...)
Show SMILES CCCCCCS(=O)Cc1cc(=O)c(O)co1
Show InChI InChI=1S/C12H18O4S/c1-2-3-4-5-6-17(15)9-10-7-11(13)12(14)8-16-10/h7-8,14H,2-6,9H2,1H3
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n/an/a 7.38E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330119
PNG
(5-hydroxy-2-(pentylsulfonylmethyl)-4H-pyran-4-one ...)
Show SMILES CCCCCS(=O)(=O)Cc1cc(=O)c(O)co1
Show InChI InChI=1S/C11H16O5S/c1-2-3-4-5-17(14,15)8-9-6-10(12)11(13)7-16-9/h6-7,13H,2-5,8H2,1H3
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n/an/a 7.66E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330118
PNG
(2-(cyclohexylsulfinylmethyl)-5-hydroxy-4H-pyran-4-...)
Show SMILES Oc1coc(CS(=O)C2CCCCC2)cc1=O
Show InChI InChI=1S/C12H16O4S/c13-11-6-9(16-7-12(11)14)8-17(15)10-4-2-1-3-5-10/h6-7,10,14H,1-5,8H2
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n/an/a 7.90E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330116
PNG
(5-hydroxy-2-(pentylsulfinylmethyl)-4H-pyran-4-one ...)
Show SMILES CCCCCS(=O)Cc1cc(=O)c(O)co1
Show InChI InChI=1S/C11H16O4S/c1-2-3-4-5-16(14)8-9-6-10(12)11(13)7-15-9/h6-7,13H,2-5,8H2,1H3
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n/an/a 7.99E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
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 8.74E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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n/an/a 1.71E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by spectrophotometric analysis


Bioorg Med Chem Lett 20: 7534-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.082
BindingDB Entry DOI: 10.7270/Q2DJ5FVB
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50248205
PNG
(CHEMBL474954 | N-Adamantan-1-yl-3,4-dihydroxy-benz...)
Show SMILES Oc1ccc(cc1O)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H21NO3/c19-14-2-1-13(6-15(14)20)16(21)18-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,19-20H,3-5,7-9H2,(H,18,21)
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n/an/a>2.00E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50248203
PNG
(CHEMBL474952 | N-Adamantan-1-yl-3,5-dihydroxy-benz...)
Show SMILES Oc1cc(O)cc(c1)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H21NO3/c19-14-4-13(5-15(20)6-14)16(21)18-17-7-10-1-11(8-17)3-12(2-10)9-17/h4-6,10-12,19-20H,1-3,7-9H2,(H,18,21)
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n/an/a>2.00E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50248206
PNG
(CHEMBL516395 | N-Adamantan-1-yl-2,3-dihydroxy-benz...)
Show SMILES Oc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1O
Show InChI InChI=1S/C17H21NO3/c19-14-3-1-2-13(15(14)20)16(21)18-17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12,19-20H,4-9H2,(H,18,21)
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n/an/a>2.00E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50248204
PNG
(CHEMBL514970 | N-Adamantan-1-yl-2,5-dihydroxy-benz...)
Show SMILES Oc1ccc(O)c(c1)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H21NO3/c19-13-1-2-15(20)14(6-13)16(21)18-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,19-20H,3-5,7-9H2,(H,18,21)
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n/an/a>2.00E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50248202
PNG
(CHEMBL474951 | N-Adamantan-1-yl-2,4-dihydroxy-benz...)
Show SMILES Oc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c1
Show InChI InChI=1S/C17H21NO3/c19-13-1-2-14(15(20)6-13)16(21)18-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,19-20H,3-5,7-9H2,(H,18,21)
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n/an/a>2.00E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 2.33E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as decrease of superoxide generation


Bioorg Med Chem Lett 18: 5006-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.016
BindingDB Entry DOI: 10.7270/Q2QF8SQK
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50331856
PNG
(CHEMBL251766 | Karempferitrin | kaempferitrin | ka...)
Show SMILES C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c3=O)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by spectrophotometric analysis


Bioorg Med Chem Lett 20: 7534-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.082
BindingDB Entry DOI: 10.7270/Q2DJ5FVB
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50213414
PNG
(CHEMBL240528 | afzelin | kaempferol 3-O-alpha-L-rh...)
Show SMILES C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-23,25-28H,1H3/t8-,15-,17+,18+,21-/m0/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by spectrophotometric analysis


Bioorg Med Chem Lett 20: 7534-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.082
BindingDB Entry DOI: 10.7270/Q2DJ5FVB
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50331857
PNG
(CHEMBL1289337 | alpha-rhamnoisorobin)
Show SMILES C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C21H20O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17,19,21-24,26-28H,1H3/t8-,15-,17+,19+,21-/m0/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by spectrophotometric analysis


Bioorg Med Chem Lett 20: 7534-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.082
BindingDB Entry DOI: 10.7270/Q2DJ5FVB
More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM23420
PNG
(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
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PubMed
n/an/a 4.30E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as decrease of superoxide generation


Bioorg Med Chem Lett 18: 5006-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.016
BindingDB Entry DOI: 10.7270/Q2QF8SQK
More data for this
Ligand-Target Pair
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