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Compile Data Set for Download or QSAR

Found 406 hits of ic50 data for polymerid = 5039,7622,50007716,50007728   
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


(Homo sapiens (Human))
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 0.260n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 0.613n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50241367
PNG
(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-((2S,4R,5...)
Show SMILES OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-25,27-30H,6H2/t13-,15+,17+,18-,21+/m1/s1
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n/an/a 0.762n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50217942
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chr...)
Show SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-30,32-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
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n/an/a 0.856n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50378581
PNG
(NICOTIFLOROSIDE)
Show SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-29,31-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
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n/an/a 0.908n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50559076
PNG
(CHEMBL4743159)
Show SMILES CC(C)C(=O)Nc1nc(cs1)-c1ccc(O)cc1O
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n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50269559
PNG
(2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc(c(O)c1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H
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n/an/a 23n/an/an/an/an/an/a



Hiroshima University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin) using L-dihydroxyphenylalanine as substrate preincubated for 30 mins followed by substrate addition measure...


J Nat Prod 80: 3172-3178 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00453
BindingDB Entry DOI: 10.7270/Q2VD71Z4
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
Tyrosinase


(Homo sapiens (Human))
BDBM50287127
PNG
((S)-2-(5-Hydroxy-4-oxo-4H-pyran-2-ylmethoxycarbony...)
Show SMILES Oc1coc(COC(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2cc(=O)c(O)co2)cc1=O
Show InChI InChI=1S/C22H19NO10/c24-17-7-14(30-11-19(17)26)9-32-21(28)16(6-13-4-2-1-3-5-13)23-22(29)33-10-15-8-18(25)20(27)12-31-15/h1-5,7-8,11-12,16,26-27H,6,9-10H2,(H,23,29)/t16-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of tyrosinase enzyme.


Bioorg Med Chem Lett 6: 1303-1308 (1996)


Article DOI: 10.1016/0960-894X(96)00221-1
BindingDB Entry DOI: 10.7270/Q2V1259K
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))
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))
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 80n/an/an/an/an/an/a


TBA



Citation and Details
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
Tyrosinase


(Homo sapiens (Human))
BDBM50441626
PNG
(GLABRIDIN | US9783551, Compound 1)
Show SMILES CC1(C)Oc2ccc3C[C@@H](COc3c2C=C1)c1ccc(O)cc1O |r,c:16|
Show InChI InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin) using L-tyrosine as substrate preincubated for 5 mins followed by substrate addition


J Nat Prod 80: 334-346 (2017)


Article DOI: 10.1021/acs.jnatprod.6b00783
BindingDB Entry DOI: 10.7270/Q2XD146V
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
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 90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human tyrosinase expressed in HEK293 cells using L-tyrosine and DOPA as substrate


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00994
BindingDB Entry DOI: 10.7270/Q2PV6Q29
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50172095
PNG
(CHEBI:69084 | Glyasperin D)
Show SMILES [#6]-[#8]-c1cc2-[#8]-[#6]-[#6@H](-[#6]-c2c(-[#8]-[#6])c1-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8])cc1-[#8]
Show InChI InChI=1S/C22H26O5/c1-13(2)5-7-17-20(25-3)11-21-18(22(17)26-4)9-14(12-27-21)16-8-6-15(23)10-19(16)24/h5-6,8,10-11,14,23-24H,7,9,12H2,1-4H3/t14-/m0/s1
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n/an/a 154n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin) using L-tyrosine as substrate assessed as oxidation of L-tyrosine after 15 mins


J Nat Prod 79: 281-92 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00877
BindingDB Entry DOI: 10.7270/Q20V8FPM
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


(Homo sapiens (Human))
BDBM50172096
PNG
(CHEBI:69089 | Glyasperin C)
Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-[#6]-[#6@H](-[#6]-c12)-c1ccc(-[#8])cc1-[#8] |r|
Show InChI InChI=1S/C21H24O5/c1-12(2)4-6-16-19(24)10-20-17(21(16)25-3)8-13(11-26-20)15-7-5-14(22)9-18(15)23/h4-5,7,9-10,13,22-24H,6,8,11H2,1-3H3/t13-/m0/s1
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n/an/a 177n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin) using L-tyrosine as substrate assessed as oxidation of L-tyrosine after 15 mins


J Nat Prod 79: 281-92 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00877
BindingDB Entry DOI: 10.7270/Q20V8FPM
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50146416
PNG
((S)-2-[(S)-2-[(S)-2-(5-Hydroxy-4-oxo-4H-pyran-2-yl...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C36H34N4O10/c41-24-12-10-22(11-13-24)15-30(35(46)47)39-34(45)29(16-23-18-37-27-9-5-4-8-26(23)27)38-33(44)28(14-21-6-2-1-3-7-21)40-36(48)50-19-25-17-31(42)32(43)20-49-25/h1-13,17-18,20,28-30,37,41,43H,14-16,19H2,(H,38,44)(H,39,45)(H,40,48)(H,46,47)/t28-,29-,30-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory activity against mushroom tyrosinase


Bioorg Med Chem Lett 14: 2843-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.046
BindingDB Entry DOI: 10.7270/Q2N015ZH
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


(Homo sapiens (Human))
BDBM85807
PNG
(Beta-PEA | CAS_60-12-8 | NSC_6054)
Show SMILES OCCc1ccccc1
Show InChI InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
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n/an/a 315n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50146418
PNG
((S)-2-{(S)-2-[(S)-2-(5-Hydroxy-4-oxo-4H-pyran-2-yl...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C34H33N3O10/c38-24-13-11-23(12-14-24)17-28(33(43)44)36-31(41)26(15-21-7-3-1-4-8-21)35-32(42)27(16-22-9-5-2-6-10-22)37-34(45)47-19-25-18-29(39)30(40)20-46-25/h1-14,18,20,26-28,38,40H,15-17,19H2,(H,35,42)(H,36,41)(H,37,45)(H,43,44)/t26-,27-,28-/m0/s1
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n/an/a 330n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory activity against mushroom tyrosinase


Bioorg Med Chem Lett 14: 2843-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.046
BindingDB Entry DOI: 10.7270/Q2N015ZH
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50263336
PNG
(4,4'-(ethane-1,2-diyl)dibenzene-1,3-diol | CHEMBL4...)
Show SMILES Oc1ccc(CCc2ccc(O)cc2O)c(O)c1
Show InChI InChI=1S/C14H14O4/c15-11-5-3-9(13(17)7-11)1-2-10-4-6-12(16)8-14(10)18/h3-8,15-18H,1-2H2
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n/an/a 370n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of Tyrosinase


Eur J Med Chem 46: 1374-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.065
BindingDB Entry DOI: 10.7270/Q20V8D41
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50146415
PNG
((S)-2-[(S)-2-[(S)-2-(5-Hydroxy-4-oxo-4H-pyran-2-yl...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C34H33N3O11/c38-23-10-6-21(7-11-23)15-26(31(42)36-28(33(44)45)16-22-8-12-24(39)13-9-22)35-32(43)27(14-20-4-2-1-3-5-20)37-34(46)48-18-25-17-29(40)30(41)19-47-25/h1-13,17,19,26-28,38-39,41H,14-16,18H2,(H,35,43)(H,36,42)(H,37,46)(H,44,45)/t26-,27-,28-/m0/s1
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n/an/a 390n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory activity against mushroom tyrosinase


Bioorg Med Chem Lett 14: 2843-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.046
BindingDB Entry DOI: 10.7270/Q2N015ZH
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50264086
PNG
((2S,3R,4S,5R)-2-(4-(2,4-dihydroxyphenethyl)-3-hydr...)
Show SMILES O[C@@H]1CO[C@@H](Oc2ccc(CCc3ccc(O)cc3O)c(O)c2)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H22O8/c20-12-5-3-10(14(21)7-12)1-2-11-4-6-13(8-15(11)22)27-19-18(25)17(24)16(23)9-26-19/h3-8,16-25H,1-2,9H2/t16-,17+,18-,19+/m1/s1
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n/an/a 430n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of Tyrosinase


Eur J Med Chem 46: 1374-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.065
BindingDB Entry DOI: 10.7270/Q20V8D41
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50292636
PNG
(4-hexyl resorcinol | ACRISORCIN | CHEMBL443605)
Show SMILES CCCCCCc1ccc(O)cc1O
Show InChI InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
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n/an/a 560n/an/an/an/an/an/a



Tokyo University of Agriculture and Technology

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin) using L-DOPA as substrate assessed as formation of dopachrome by spectrophotometric analysis


Bioorg Med Chem 23: 6650-8 (2015)


Article DOI: 10.1016/j.bmc.2015.09.014
BindingDB Entry DOI: 10.7270/Q2DR2X9W
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50608337
PNG
((+)-Anymol | CHEMBL477832)
Show SMILES [H][C@@]1([#6]-[#6]-[#6](-[#6])=[#6]-[#6]1)[C@]([#6])([#8])[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r,c:5|
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n/an/a 635n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50340788
PNG
(4-(beta-D-Cellobiopyranosyl)-2,2',4'-trihydroxybib...)
Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](Oc3ccc(CCc4ccc(O)cc4O)c(O)c3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C26H34O14/c27-9-17-19(32)20(33)22(35)26(38-17)40-24-18(10-28)39-25(23(36)21(24)34)37-14-6-4-12(16(31)8-14)2-1-11-3-5-13(29)7-15(11)30/h3-8,17-36H,1-2,9-10H2/t17-,18-,19-,20+,21-,22-,23-,24-,25-,26+/m1/s1
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n/an/a 680n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of Tyrosinase


Eur J Med Chem 46: 1374-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.065
BindingDB Entry DOI: 10.7270/Q20V8D41
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50366430
PNG
(CHEMBL1794031)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1cc(=O)c(O)co1)C(=O)OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C19H21NO10/c1-3-10(2)17(18(25)29-6-11-4-13(21)15(23)8-27-11)20-19(26)30-7-12-5-14(22)16(24)9-28-12/h4-5,8-10,17,23-24H,3,6-7H2,1-2H3,(H,20,26)/t10-,17-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of tyrosinase enzyme.


Bioorg Med Chem Lett 6: 1303-1308 (1996)


Article DOI: 10.1016/0960-894X(96)00221-1
BindingDB Entry DOI: 10.7270/Q2V1259K
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50264087
PNG
((2S,2'S,3R,3'R,4S,4'S,5R,5'R)-2,2'-(4-(2,4-dihydro...)
Show SMILES O[C@@H]1CO[C@@H](Oc2ccc(CCc3ccc(O)cc3O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c2)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H30O12/c25-13-5-3-11(15(26)7-13)1-2-12-4-6-14(35-23-21(31)19(29)16(27)9-33-23)8-18(12)36-24-22(32)20(30)17(28)10-34-24/h3-8,16-17,19-32H,1-2,9-10H2/t16-,17-,19+,20+,21-,22-,23+,24+/m1/s1
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n/an/a 730n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of Tyrosinase


Eur J Med Chem 46: 1374-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.065
BindingDB Entry DOI: 10.7270/Q20V8D41
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50237231
PNG
(CHEMBL4063130)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C25H28O6/c1-13(2)5-7-16-15(9-10-18(26)24(16)29)21-12-20(28)23-22(31-21)11-19(27)17(25(23)30)8-6-14(3)4/h5-6,9-11,21,26-27,29-30H,7-8,12H2,1-4H3
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n/an/a 750n/an/an/an/an/an/a



Universidad Nacional de C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16 cells assessed as reduction in melanin production measured after 24 hrs


Bioorg Med Chem Lett 27: 1789-1794 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.058
BindingDB Entry DOI: 10.7270/Q2MW2KDB
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50340787
PNG
(4-(beta-D-Glucopyranosyl)-2,2',4'-trihydroxybibenz...)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(CCc3ccc(O)cc3O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H24O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-4-11(15(24)8-13)2-1-10-3-5-12(22)7-14(10)23/h3-8,16-27H,1-2,9H2/t16-,17-,18+,19-,20-/m1/s1
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n/an/a 770n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of Tyrosinase


Eur J Med Chem 46: 1374-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.065
BindingDB Entry DOI: 10.7270/Q20V8D41
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50146414
PNG
((2S)-2-[(2S)-2-[(2S)-2-({[(5-hydroxy-4-oxo-4H-pyra...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C38H35N5O10/c44-24-11-9-21(10-12-24)13-32(37(49)50)42-35(47)30(14-22-17-39-28-7-3-1-5-26(22)28)41-36(48)31(15-23-18-40-29-8-4-2-6-27(23)29)43-38(51)53-19-25-16-33(45)34(46)20-52-25/h1-12,16-18,20,30-32,39-40,44,46H,13-15,19H2,(H,41,48)(H,42,47)(H,43,51)(H,49,50)/t30-,31-,32-/m0/s1
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n/an/a 780n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory activity against mushroom tyrosinase


Bioorg Med Chem Lett 14: 2843-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.046
BindingDB Entry DOI: 10.7270/Q2N015ZH
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))
BDBM50340789
PNG
(2,2',4'-Trihydroxy-4-(beta-D-maltopyranosyl)bibenz...)
Show SMILES OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](Oc3ccc(CCc4ccc(O)cc4O)c(O)c3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C26H34O14/c27-9-17-19(32)20(33)22(35)26(38-17)40-24-18(10-28)39-25(23(36)21(24)34)37-14-6-4-12(16(31)8-14)2-1-11-3-5-13(29)7-15(11)30/h3-8,17-36H,1-2,9-10H2/t17-,18-,19-,20+,21-,22-,23-,24-,25-,26-/m1/s1
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n/an/a 830n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of Tyrosinase


Eur J Med Chem 46: 1374-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.065
BindingDB Entry DOI: 10.7270/Q20V8D41
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))
BDBM50559078
PNG
(SUBAMOLIDE A)
Show SMILES CCCCCCCCCCCCC\C=C1\[C@@H](O)[C@](C)(OC)OC1=O |r|
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of tyrosinase in human neonatal foreskin epidermal melanocyte cells using L-tyrosine and L-DOPA as substrate preincubated for 2 days follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00994
BindingDB Entry DOI: 10.7270/Q2PV6Q29
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50559077
PNG
(CHEMBL4473314)
Show SMILES CCCCCCCCCCCCC\C=C1\[C@@H](O)C(=C)OC1=O |r|
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of tyrosinase in human neonatal foreskin epidermal melanocyte cells using L-tyrosine and L-DOPA as substrate preincubated for 2 days follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00994
BindingDB Entry DOI: 10.7270/Q2PV6Q29
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50237232
PNG
(CHEMBL516671)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6](-[#8]-c12)-c1cc(c(-[#8])cc1-[#8])C([#6])([#6])[#6]=[#6]
Show InChI InChI=1S/C25H28O6/c1-6-25(4,5)16-9-15(18(27)10-19(16)28)22-12-21(30)23-20(29)11-17(26)14(24(23)31-22)8-7-13(2)3/h6-7,9-11,22,26-29H,1,8,12H2,2-5H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universidad Nacional de C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16 cells assessed as reduction in melanin production measured after 24 hrs


Bioorg Med Chem Lett 27: 1789-1794 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.058
BindingDB Entry DOI: 10.7270/Q2MW2KDB
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
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 1.00E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin) using L-tyrosine as substrate assessed as oxidation of L-tyrosine after 15 mins


J Nat Prod 79: 281-92 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00877
BindingDB Entry DOI: 10.7270/Q20V8FPM
More data for this
Ligand-Target Pair
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