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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50038417   
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


(Agaricus bisporus (Common mushroom))
BDBM50302754
PNG
(1-(1-(4-methoxyphenyl)ethylidene)thiosemicarbazide...)
Show SMILES COc1ccc(cc1)C(C)=NNC(N)=S
Show InChI InChI=1S/C10H13N3OS/c1-7(12-13-10(11)15)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3,(H3,11,13,15)/b12-7+
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n/an/a 110n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50376204
PNG
(CHEMBL401925)
Show SMILES CC(=NNC(N)=S)c1cccs1
Show InChI InChI=1S/C7H9N3S2/c1-5(9-10-7(8)11)6-3-2-4-12-6/h2-4H,1H3,(H3,8,10,11)/b9-5-
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n/an/a 140n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50376201
PNG
(CHEMBL256865)
Show SMILES CC(=NNC(N)=S)c1ccc(cc1)C(C)=NNC(N)=S
Show InChI InChI=1S/C12H16N6S2/c1-7(15-17-11(13)19)9-3-5-10(6-4-9)8(2)16-18-12(14)20/h3-6H,1-2H3,(H3,13,17,19)(H3,14,18,20)/b15-7-,16-8-
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n/an/a 150n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50376208
PNG
(CHEMBL429500)
Show SMILES CC(=NNC(N)=S)c1ccc(F)cc1
Show InChI InChI=1S/C9H10FN3S/c1-6(12-13-9(11)14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H3,11,13,14)/b12-6-
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n/an/a 170n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50376198
PNG
(CHEMBL256866)
Show SMILES CC(=NNC(N)=S)c1ccc(C)cc1
Show InChI InChI=1S/C10H13N3S/c1-7-3-5-9(6-4-7)8(2)12-13-10(11)14/h3-6H,1-2H3,(H3,11,13,14)/b12-8-
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n/an/a 270n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50376213
PNG
(CHEMBL404884)
Show SMILES CC(=NNC(N)=S)c1ccc(O)cc1
Show InChI InChI=1S/C9H11N3OS/c1-6(11-12-9(10)14)7-2-4-8(13)5-3-7/h2-5,13H,1H3,(H3,10,12,14)/b11-6-
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n/an/a 310n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50376200
PNG
(CHEMBL256868)
Show SMILES CC(=NNC(N)=S)c1ccccc1
Show InChI InChI=1S/C9H11N3S/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-6H,1H3,(H3,10,12,13)/b11-7-
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n/an/a 340n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50236983
PNG
(2-Hydroxy-cyclohepta-2,4,6-trienone | 2-hydroxycyc...)
Show SMILES Oc1cccccc1=O
Show InChI InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
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n/an/a 400n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50236968
PNG
(1-(1-(4-Methoxyphenyl)propan-2-ylidene)-thiosemica...)
Show SMILES COc1ccc(CC(C)=NNC(N)=S)cc1
Show InChI InChI=1S/C11H15N3OS/c1-8(13-14-11(12)16)7-9-3-5-10(15-2)6-4-9/h3-6H,7H2,1-2H3,(H3,12,14,16)/b13-8-
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n/an/a 420n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50376212
PNG
(CHEMBL258261)
Show SMILES CC(=NNC(N)=S)c1ccc(Br)cc1
Show InChI InChI=1S/C9H10BrN3S/c1-6(12-13-9(11)14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H3,11,13,14)/b12-6-
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n/an/a 520n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50236967
PNG
(1-(4-(4-Hydroxyphenyl)butan-2-ylidene)-thiosemicar...)
Show SMILES CC(CCc1ccc(O)cc1)=NNC(N)=S
Show InChI InChI=1S/C11H15N3OS/c1-8(13-14-11(12)16)2-3-9-4-6-10(15)7-5-9/h4-7,15H,2-3H2,1H3,(H3,12,14,16)/b13-8-
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n/an/a 540n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50376197
PNG
(CHEMBL256182)
Show SMILES CC(=NNC(N)=S)c1ccc(O)cc1O
Show InChI InChI=1S/C9H11N3O2S/c1-5(11-12-9(10)15)7-3-2-6(13)4-8(7)14/h2-4,13-14H,1H3,(H3,10,12,15)/b11-5-
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n/an/a 580n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50376203
PNG
(CHEMBL272957)
Show SMILES CC(=NNC(N)=S)c1cccnc1
Show InChI InChI=1S/C8H10N4S/c1-6(11-12-8(9)13)7-3-2-4-10-5-7/h2-5H,1H3,(H3,9,12,13)/b11-6-
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n/an/a 820n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50376205
PNG
(CHEMBL401556)
Show SMILES CC(=NNC(N)=S)c1cnccn1
Show InChI InChI=1S/C7H9N5S/c1-5(11-12-7(8)13)6-4-9-2-3-10-6/h2-4H,1H3,(H3,8,12,13)/b11-5-
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n/an/a 880n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50376207
PNG
(CHEMBL258052)
Show SMILES CC(C)c1ccc(cc1)C(C)=NNC(N)=S
Show InChI InChI=1S/C12H17N3S/c1-8(2)10-4-6-11(7-5-10)9(3)14-15-12(13)16/h4-8H,1-3H3,(H3,13,15,16)/b14-9-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50376196
PNG
(CHEMBL402139)
Show SMILES CC(=NNC(N)=S)c1c(O)cc(O)cc1O
Show InChI InChI=1S/C9H11N3O3S/c1-4(11-12-9(10)16)8-6(14)2-5(13)3-7(8)15/h2-3,13-15H,1H3,(H3,10,12,16)/b11-4-
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n/an/a 2.20E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
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 2.30E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50376202
PNG
(CHEMBL271217)
Show SMILES NC(=S)NNC(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1/C15H15N3OS/c16-15(20)18-17-13(11-7-3-1-4-8-11)14(19)12-9-5-2-6-10-12/h1-10,13,17H,(H3,16,18,20)
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n/an/a 5.55E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50376199
PNG
(CHEMBL256697)
Show SMILES NC(=S)NN=C(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H13N3OS/c16-15(20)18-17-13(11-7-3-1-4-8-11)14(19)12-9-5-2-6-10-12/h1-10H,(H3,16,18,20)/b17-13+
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50376211
PNG
(CHEMBL401911)
Show SMILES CC(=O)c1cccs1
Show InChI InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
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n/an/a 1.50E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50146453
PNG
((E)-3-(4-Methoxy-phenyl)-acrylic acid | 3-(4-metho...)
Show SMILES COc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
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n/an/a 4.10E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50236986
PNG
(CHEMBL274467 | acetophenone)
Show SMILES CC(=O)c1ccccc1
Show InChI InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
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n/an/a 8.50E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50376210
PNG
(CHEMBL257923)
Show SMILES CC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C8H7FO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
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n/an/a 9.90E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50376209
PNG
(CHEMBL401912)
Show SMILES COc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
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n/an/a 2.00E+6n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50236982
PNG
(CHEMBL256250 | HYDRAZINECARBOTHIOAMIDE | Thiosemic...)
Show SMILES NNC(N)=S
Show InChI InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)
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n/an/a 2.00E+6n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
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=1/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-/s2
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PubMed
n/an/a 1.04E+7n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 16: 1096-102 (2008)


Article DOI: 10.1016/j.bmc.2007.10.102
BindingDB Entry DOI: 10.7270/Q2RF5VWT
More data for this
Ligand-Target Pair