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Compile Data Set for Download or QSAR

Found 132 hits Enz. Inhib. hit(s) with all data for entry = 50009519   
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


(Homo sapiens (Human))
BDBM50205807
PNG
(CHEMBL3978212)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(=O)n(O)c1
Show InChI InChI=1S/C14H9NO5/c16-9-2-3-10-11(6-9)20-12(14(10)18)5-8-1-4-13(17)15(19)7-8/h1-7,16,19H/b12-5-
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350n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human tyrosinase expressed in baculovirus infected Sf9 cells using L-DOPA as substrate by double-reciprocal plo...


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50205807
PNG
(CHEMBL3978212)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(=O)n(O)c1
Show InChI InChI=1S/C14H9NO5/c16-9-2-3-10-11(6-9)20-12(14(10)18)5-8-1-4-13(17)15(19)7-8/h1-7,16,19H/b12-5-
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350n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human tyrosinase expressed in baculovirus infected Sf9 cells using L-DOPA as substrate by double-reciprocal plo...


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50205815
PNG
(CHEMBL3907670)
Show SMILES Oc1cccc2O\C(=C/c3ccc(=O)n(O)c3)C(=O)c12
Show InChI InChI=1S/C14H9NO5/c16-9-2-1-3-10-13(9)14(18)11(20-10)6-8-4-5-12(17)15(19)7-8/h1-7,16,19H/b11-6-
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1.02E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human tyrosinase expressed in baculovirus infected Sf9 cells using L-DOPA as substrate by double-reciprocal plo...


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50205815
PNG
(CHEMBL3907670)
Show SMILES Oc1cccc2O\C(=C/c3ccc(=O)n(O)c3)C(=O)c12
Show InChI InChI=1S/C14H9NO5/c16-9-2-1-3-10-13(9)14(18)11(20-10)6-8-4-5-12(17)15(19)7-8/h1-7,16,19H/b11-6-
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1.02E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human tyrosinase expressed in baculovirus infected Sf9 cells using L-DOPA as substrate by double-reciprocal plo...


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50205806
PNG
(CHEMBL3969839)
Show SMILES Oc1cc2O\C(=C/c3ccc(=O)n(O)c3)C(=O)c2c(O)c1
Show InChI InChI=1S/C14H9NO6/c16-8-4-9(17)13-10(5-8)21-11(14(13)19)3-7-1-2-12(18)15(20)6-7/h1-6,16-17,20H/b11-3-
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1.20E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human tyrosinase expressed in baculovirus infected Sf9 cells using L-DOPA as substrate by double-reciprocal plo...


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50205806
PNG
(CHEMBL3969839)
Show SMILES Oc1cc2O\C(=C/c3ccc(=O)n(O)c3)C(=O)c2c(O)c1
Show InChI InChI=1S/C14H9NO6/c16-8-4-9(17)13-10(5-8)21-11(14(13)19)3-7-1-2-12(18)15(20)6-7/h1-6,16-17,20H/b11-3-
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1.20E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human tyrosinase expressed in baculovirus infected Sf9 cells using L-DOPA as substrate by double-reciprocal plo...


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50205814
PNG
(CHEMBL3898657)
Show SMILES Oc1cccc[n+]1[O-]
Show InChI InChI=1S/C5H5NO2/c7-5-3-1-2-4-6(5)8/h1-4,7H
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1.80E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive inhibition of Agaricus bisporus tyrosinase


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50205814
PNG
(CHEMBL3898657)
Show SMILES Oc1cccc[n+]1[O-]
Show InChI InChI=1S/C5H5NO2/c7-5-3-1-2-4-6(5)8/h1-4,7H
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1.80E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive inhibition of Agaricus bisporus tyrosinase


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50205814
PNG
(CHEMBL3898657)
Show SMILES Oc1cccc[n+]1[O-]
Show InChI InChI=1S/C5H5NO2/c7-5-3-1-2-4-6(5)8/h1-4,7H
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1.28E+5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human tyrosinase


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50205814
PNG
(CHEMBL3898657)
Show SMILES Oc1cccc[n+]1[O-]
Show InChI InChI=1S/C5H5NO2/c7-5-3-1-2-4-6(5)8/h1-4,7H
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1.28E+5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human tyrosinase


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50044784
PNG
(CHEBI:79090 | SB-202190 | US10865384, Compound SB2...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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n/an/a 30n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16F10 cells assessed as reduction in melanin synthesis after 2 hrs by spectrophotometric analysis


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50044784
PNG
(CHEBI:79090 | SB-202190 | US10865384, Compound SB2...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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n/an/a 30n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16F10 cells assessed as reduction in melanin synthesis after 2 hrs by spectrophotometric analysis


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50045333
PNG
(CHEBI:90705 | SB-203580)
Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
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n/an/a 34n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16F10 cells assessed as reduction in melanin synthesis after 2 hrs by spectrophotometric analysis


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50045333
PNG
(CHEBI:90705 | SB-203580)
Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
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n/an/a 34n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16F10 cells assessed as reduction in melanin synthesis after 2 hrs by spectrophotometric analysis


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330795
PNG
(2-hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one ...)
Show SMILES CC(C)c1ccc(O)c(=O)cc1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-3-5-9(11)10(12)6-4-8/h3-7H,1-2H3,(H,11,12)
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n/an/a 70n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50203985
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-1-9(14(19)7-10)2-6-13(18)12-5-4-11(17)8-15(12)20/h1-8,16-17,19-20H/b6-2+
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n/an/a 70n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330795
PNG
(2-hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one ...)
Show SMILES CC(C)c1ccc(O)c(=O)cc1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-3-5-9(11)10(12)6-4-8/h3-7H,1-2H3,(H,11,12)
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n/an/a 70n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50203985
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-1-9(14(19)7-10)2-6-13(18)12-5-4-11(17)8-15(12)20/h1-8,16-17,19-20H/b6-2+
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n/an/a 70n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50251013
PNG
(2,4,2',4'-tetrahydroxy-3'-prenylchalcone | CHEMBL4...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2-[#8])c1-[#8]
Show InChI InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+
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n/an/a 80n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50251013
PNG
(2,4,2',4'-tetrahydroxy-3'-prenylchalcone | CHEMBL4...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2-[#8])c1-[#8]
Show InChI InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+
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n/an/a 80n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50230001
PNG
(4-(4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazo...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H13FN4O2/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(8-4-15)25(26)27/h1-12H,(H,23,24)
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n/an/a 89n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16F10 cells assessed as reduction in melanin synthesis after 2 hrs by spectrophotometric analysis


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50230001
PNG
(4-(4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazo...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H13FN4O2/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(8-4-15)25(26)27/h1-12H,(H,23,24)
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n/an/a 89n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16F10 cells assessed as reduction in melanin synthesis after 2 hrs by spectrophotometric analysis


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330794
PNG
(2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone | ...)
Show SMILES CC(C)c1cccc(=O)c(O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
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n/an/a 90n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330794
PNG
(2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone | ...)
Show SMILES CC(C)c1cccc(=O)c(O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
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n/an/a 90n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50529589
PNG
(CHEMBL4239110)
Show SMILES C\C(CO)=C/Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2O)c1O
Show InChI InChI=1S/C20H20O6/c1-12(11-21)2-6-15-18(24)9-7-16(20(15)26)17(23)8-4-13-3-5-14(22)10-19(13)25/h2-5,7-10,21-22,24-26H,6,11H2,1H3/b8-4+,12-2+
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n/an/a 170n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50529589
PNG
(CHEMBL4239110)
Show SMILES C\C(CO)=C/Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2O)c1O
Show InChI InChI=1S/C20H20O6/c1-12(11-21)2-6-15-18(24)9-7-16(20(15)26)17(23)8-4-13-3-5-14(22)10-19(13)25/h2-5,7-10,21-22,24-26H,6,11H2,1H3/b8-4+,12-2+
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n/an/a 170n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50193667
PNG
(2,4,3',5'-tetrahydroxybibenzyl | CHEMBL221291)
Show SMILES Oc1ccc(CCc2cc(O)cc(O)c2)c(O)c1
Show InChI InChI=1S/C14H14O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h3-8,15-18H,1-2H2
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n/an/a 300n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16 cells


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50193667
PNG
(2,4,3',5'-tetrahydroxybibenzyl | CHEMBL221291)
Show SMILES Oc1ccc(CCc2cc(O)cc(O)c2)c(O)c1
Show InChI InChI=1S/C14H14O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h3-8,15-18H,1-2H2
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n/an/a 300n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16 cells


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50529600
PNG
(CHEMBL4445400)
Show SMILES Oc1cccc(\C=C\c2ccc(O)cc2O)c1
Show InChI InChI=1S/C14H12O3/c15-12-3-1-2-10(8-12)4-5-11-6-7-13(16)9-14(11)17/h1-9,15-17H/b5-4+
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n/an/a 800n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16 cells


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50529600
PNG
(CHEMBL4445400)
Show SMILES Oc1cccc(\C=C\c2ccc(O)cc2O)c1
Show InChI InChI=1S/C14H12O3/c15-12-3-1-2-10(8-12)4-5-11-6-7-13(16)9-14(11)17/h1-9,15-17H/b5-4+
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n/an/a 800n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16 cells


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50251005
PNG
((2S)-5,7,2',4'-tetrahydroxyflavanone | (S)-2-(2,4-...)
Show SMILES Oc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c(O)c1 |r|
Show InChI InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2/t13-/m0/s1
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n/an/a 980n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50251005
PNG
((2S)-5,7,2',4'-tetrahydroxyflavanone | (S)-2-(2,4-...)
Show SMILES Oc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c(O)c1 |r|
Show InChI InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2/t13-/m0/s1
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n/an/a 980n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50330795
PNG
(2-hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one ...)
Show SMILES CC(C)c1ccc(O)c(=O)cc1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-3-5-9(11)10(12)6-4-8/h3-7H,1-2H3,(H,11,12)
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n/an/a 1.15E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human tyrosinase


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50330795
PNG
(2-hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one ...)
Show SMILES CC(C)c1ccc(O)c(=O)cc1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-3-5-9(11)10(12)6-4-8/h3-7H,1-2H3,(H,11,12)
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n/an/a 1.15E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human tyrosinase


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50205807
PNG
(CHEMBL3978212)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(=O)n(O)c1
Show InChI InChI=1S/C14H9NO5/c16-9-2-3-10-11(6-9)20-12(14(10)18)5-8-1-4-13(17)15(19)7-8/h1-7,16,19H/b12-5-
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50205807
PNG
(CHEMBL3978212)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(=O)n(O)c1
Show InChI InChI=1S/C14H9NO5/c16-9-2-3-10-11(6-9)20-12(14(10)18)5-8-1-4-13(17)15(19)7-8/h1-7,16,19H/b12-5-
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50108046
PNG
((oxyresveratrol)4-[(E)-2-(3,5-dihydroxyphenyl)viny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(O)c1
Show InChI InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16 cells


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50108046
PNG
((oxyresveratrol)4-[(E)-2-(3,5-dihydroxyphenyl)viny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(O)c1
Show InChI InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16 cells


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50174577
PNG
(CHEMBL3810334)
Show SMILES Oc1c[nH]c(COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1=O |r|
Show InChI InChI=1S/C23H22N2O6/c26-20-12-18(24-13-21(20)27)15-30-22(28)19(11-16-7-3-1-4-8-16)25-23(29)31-14-17-9-5-2-6-10-17/h1-10,12-13,19,27H,11,14-15H2,(H,24,26)(H,25,29)/t19-/m0/s1
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n/an/a 1.95E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin) assessed as reduction in monophenolase activity


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50174577
PNG
(CHEMBL3810334)
Show SMILES Oc1c[nH]c(COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1=O |r|
Show InChI InChI=1S/C23H22N2O6/c26-20-12-18(24-13-21(20)27)15-30-22(28)19(11-16-7-3-1-4-8-16)25-23(29)31-14-17-9-5-2-6-10-17/h1-10,12-13,19,27H,11,14-15H2,(H,24,26)(H,25,29)/t19-/m0/s1
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n/an/a 1.95E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin) assessed as reduction in monophenolase activity


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50174577
PNG
(CHEMBL3810334)
Show SMILES Oc1c[nH]c(COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1=O |r|
Show InChI InChI=1S/C23H22N2O6/c26-20-12-18(24-13-21(20)27)15-30-22(28)19(11-16-7-3-1-4-8-16)25-23(29)31-14-17-9-5-2-6-10-17/h1-10,12-13,19,27H,11,14-15H2,(H,24,26)(H,25,29)/t19-/m0/s1
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n/an/a 2.79E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin) assessed as reduction in diphenolase activity


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50174577
PNG
(CHEMBL3810334)
Show SMILES Oc1c[nH]c(COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1=O |r|
Show InChI InChI=1S/C23H22N2O6/c26-20-12-18(24-13-21(20)27)15-30-22(28)19(11-16-7-3-1-4-8-16)25-23(29)31-14-17-9-5-2-6-10-17/h1-10,12-13,19,27H,11,14-15H2,(H,24,26)(H,25,29)/t19-/m0/s1
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n/an/a 2.79E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin) assessed as reduction in diphenolase activity


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human tyrosinase after 120 mins


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human tyrosinase after 120 mins


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50251013
PNG
(2,4,2',4'-tetrahydroxy-3'-prenylchalcone | CHEMBL4...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2-[#8])c1-[#8]
Show InChI InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16 cells assessed as reduction in melanin synthesis after 1 hr


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50251013
PNG
(2,4,2',4'-tetrahydroxy-3'-prenylchalcone | CHEMBL4...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2-[#8])c1-[#8]
Show InChI InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16 cells assessed as reduction in melanin synthesis after 1 hr


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50529589
PNG
(CHEMBL4239110)
Show SMILES C\C(CO)=C/Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2O)c1O
Show InChI InChI=1S/C20H20O6/c1-12(11-21)2-6-15-18(24)9-7-16(20(15)26)17(23)8-4-13-3-5-14(22)10-19(13)25/h2-5,7-10,21-22,24-26H,6,11H2,1H3/b8-4+,12-2+
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16 cells assessed as reduction in melanin synthesis after 1 hr


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50529589
PNG
(CHEMBL4239110)
Show SMILES C\C(CO)=C/Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2O)c1O
Show InChI InChI=1S/C20H20O6/c1-12(11-21)2-6-15-18(24)9-7-16(20(15)26)17(23)8-4-13-3-5-14(22)10-19(13)25/h2-5,7-10,21-22,24-26H,6,11H2,1H3/b8-4+,12-2+
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16 cells assessed as reduction in melanin synthesis after 1 hr


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50529598
PNG
(CHEMBL4436373)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])ccc(-[#6]-[#6@H]-2-[#6@@H](-[#6]-[#6](-[#6])=[#6]-[#6@H]-2-c2c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c3ccc(-[#8])cc3-[#8])c2-[#8])-c2ccc(-[#8])cc2-[#8])c1-[#8] |r,c:16|
Show InChI InChI=1S/C40H40O9/c1-21(2)4-10-28-33(43)14-7-24(39(28)48)18-31-30(27-11-9-26(42)20-37(27)47)16-22(3)17-32(31)38-35(45)15-12-29(40(38)49)34(44)13-6-23-5-8-25(41)19-36(23)46/h4-9,11-15,17,19-20,30-32,41-43,45-49H,10,16,18H2,1-3H3/b13-6+/t30-,31-,32+/m0/s1
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n/an/a 4.62E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50529598
PNG
(CHEMBL4436373)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])ccc(-[#6]-[#6@H]-2-[#6@@H](-[#6]-[#6](-[#6])=[#6]-[#6@H]-2-c2c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c3ccc(-[#8])cc3-[#8])c2-[#8])-c2ccc(-[#8])cc2-[#8])c1-[#8] |r,c:16|
Show InChI InChI=1S/C40H40O9/c1-21(2)4-10-28-33(43)14-7-24(39(28)48)18-31-30(27-11-9-26(42)20-37(27)47)16-22(3)17-32(31)38-35(45)15-12-29(40(38)49)34(44)13-6-23-5-8-25(41)19-36(23)46/h4-9,11-15,17,19-20,30-32,41-43,45-49H,10,16,18H2,1-3H3/b13-6+/t30-,31-,32+/m0/s1
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UniChem
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n/an/a 4.62E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
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