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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50034062   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356166
PNG
(CHEMBL1088657)
Show SMILES Cc1cccc(NC(N)=S)c1
Show InChI InChI=1S/C8H10N2S/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
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n/an/a 600n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356164
PNG
(CHEMBL1088361)
Show SMILES CCc1ccc(NC(N)=S)cc1
Show InChI InChI=1S/C9H12N2S/c1-2-7-3-5-8(6-4-7)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)
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n/an/a 800n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356167
PNG
(CHEMBL1088658)
Show SMILES Cc1ccccc1NC(N)=S
Show InChI InChI=1S/C8H10N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
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n/an/a 840n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356163
PNG
(CHEMBL1088360)
Show SMILES Cc1ccc(NC(N)=S)cc1
Show InChI InChI=1S/C8H10N2S/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50240041
PNG
(1-phenyl-2-thiourea | 1-phenylthiourea | CHEMBL263...)
Show SMILES NC(=S)Nc1ccccc1
Show InChI InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356165
PNG
(CHEMBL1088498)
Show SMILES CC(C)(C)c1ccc(NC(N)=S)cc1
Show InChI InChI=1S/C11H16N2S/c1-11(2,3)8-4-6-9(7-5-8)13-10(12)14/h4-7H,1-3H3,(H3,12,13,14)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356170
PNG
(CHEMBL1087841)
Show SMILES NC(=S)NCc1ccccc1
Show InChI InChI=1S/C8H10N2S/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)
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n/an/a 2.54E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356168
PNG
(CHEMBL1087472)
Show SMILES CCc1ccccc1NC(N)=S
Show InChI InChI=1S/C9H12N2S/c1-2-7-5-3-4-6-8(7)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)
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n/an/a 2.71E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356172
PNG
(CHEMBL1087843)
Show SMILES NC(=S)NCCCc1ccccc1
Show InChI InChI=1S/C10H14N2S/c11-10(13)12-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,11,12,13)
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n/an/a 6.48E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50031467
PNG
(5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...)
Show SMILES OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
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n/an/a 7.04E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356182
PNG
(CHEMBL1521932)
Show SMILES S=C(NCCCc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C16H18N2S/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H2,17,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356183
PNG
(CHEMBL1910061)
Show SMILES CC(C)N(C(C)C)C(=S)Nc1ccccc1
Show InChI InChI=1S/C13H20N2S/c1-10(2)15(11(3)4)13(16)14-12-8-6-5-7-9-12/h5-11H,1-4H3,(H,14,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356184
PNG
(CHEMBL591208)
Show SMILES Cc1ccc2NC(=S)N(CCc3ccccc3)Cc2c1
Show InChI InChI=1S/C17H18N2S/c1-13-7-8-16-15(11-13)12-19(17(20)18-16)10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356185
PNG
(CHEMBL1208820)
Show SMILES S=C1NCc2ccccc2N1
Show InChI InChI=1S/C8H8N2S/c11-8-9-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2,(H2,9,10,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356181
PNG
(CHEMBL1497537)
Show SMILES S=C(NCCc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C15H16N2S/c18-15(17-14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,16,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356180
PNG
(CHEMBL1910060)
Show SMILES S=C(NCc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C14H14N2S/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356179
PNG
(CHEMBL1910059)
Show SMILES S=C(NC1CCCCC1)Nc1ccccc1
Show InChI InChI=1S/C13H18N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,14,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM60574
PNG
(1-(4-hydroxyphenyl)-3-phenyl-thiourea | 1-(4-hydro...)
Show SMILES Oc1ccc(NC(=S)Nc2ccccc2)cc1
Show InChI InChI=1S/C13H12N2OS/c16-12-8-6-11(7-9-12)15-13(17)14-10-4-2-1-3-5-10/h1-9,16H,(H2,14,15,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356177
PNG
(CHEMBL1599555)
Show SMILES COc1ccc(NC(=S)Nc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2OS/c1-17-13-9-7-12(8-10-13)16-14(18)15-11-5-3-2-4-6-11/h2-10H,1H3,(H2,15,16,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356176
PNG
(CHEMBL1910058)
Show SMILES Clc1ccc(NC(=S)Nc2ccccc2)cc1
Show InChI InChI=1S/C13H11ClN2S/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h1-9H,(H2,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356175
PNG
(CHEMBL1910057)
Show SMILES Cc1ccc(NC(=S)Nc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2S/c1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12/h2-10H,1H3,(H2,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356173
PNG
(CHEMBL1910056)
Show SMILES CNC(=S)Nc1ccccc1
Show InChI InChI=1S/C8H10N2S/c1-9-8(11)10-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356171
PNG
(CHEMBL1087842)
Show SMILES NC(=S)NCCc1ccccc1
Show InChI InChI=1S/C9H12N2S/c10-9(12)11-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,10,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356169
PNG
(CHEMBL1094725)
Show SMILES CC(C)(C)c1ccccc1NC(N)=S
Show InChI InChI=1S/C11H16N2S/c1-11(2,3)8-6-4-5-7-9(8)13-10(12)14/h4-7H,1-3H3,(H3,12,13,14)
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Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356174
PNG
(CHEMBL275260)
Show SMILES S=C(Nc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair