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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50004653   
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))
BDBM60579
PNG
((5Z)-5-(4-hydroxybenzylidene)thiazolidine-2,4-quin...)
Show SMILES Oc1ccc(\C=C2/SC(=O)NC2=O)cc1
Show InChI InChI=1S/C10H7NO3S/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)/b8-5-
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374n/an/an/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate at 1.25 uM by Line-Weaver-Burk plot analysis


Eur J Med Chem 49: 245-52 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.019
BindingDB Entry DOI: 10.7270/Q2DV1NR2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485276
PNG
(CHEMBL233375)
Show SMILES COc1ccc(\C=C2/SC(=O)NC2=O)cc1O
Show InChI InChI=1S/C11H9NO4S/c1-16-8-3-2-6(4-7(8)13)5-9-10(14)12-11(15)17-9/h2-5,13H,1H3,(H,12,14,15)/b9-5-
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413n/an/an/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate at 1.25 uM by Line-Weaver-Burk plot analysis


Eur J Med Chem 49: 245-52 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.019
BindingDB Entry DOI: 10.7270/Q2DV1NR2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM60579
PNG
((5Z)-5-(4-hydroxybenzylidene)thiazolidine-2,4-quin...)
Show SMILES Oc1ccc(\C=C2/SC(=O)NC2=O)cc1
Show InChI InChI=1S/C10H7NO3S/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)/b8-5-
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840n/an/an/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate at 20 uM by Line-Weaver-Burk plot analysis


Eur J Med Chem 49: 245-52 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.019
BindingDB Entry DOI: 10.7270/Q2DV1NR2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485276
PNG
(CHEMBL233375)
Show SMILES COc1ccc(\C=C2/SC(=O)NC2=O)cc1O
Show InChI InChI=1S/C11H9NO4S/c1-16-8-3-2-6(4-7(8)13)5-9-10(14)12-11(15)17-9/h2-5,13H,1H3,(H,12,14,15)/b9-5-
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UniChem
Article
PubMed
1.38E+3n/an/an/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate at 20 uM by Line-Weaver-Burk plot analysis


Eur J Med Chem 49: 245-52 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.019
BindingDB Entry DOI: 10.7270/Q2DV1NR2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50485276
PNG
(CHEMBL233375)
Show SMILES COc1ccc(\C=C2/SC(=O)NC2=O)cc1O
Show InChI InChI=1S/C11H9NO4S/c1-16-8-3-2-6(4-7(8)13)5-9-10(14)12-11(15)17-9/h2-5,13H,1H3,(H,12,14,15)/b9-5-
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Article
PubMed
n/an/a 9.87E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate after 30 mins by spectrophotometric analysis


Eur J Med Chem 49: 245-52 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.019
BindingDB Entry DOI: 10.7270/Q2DV1NR2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM60579
PNG
((5Z)-5-(4-hydroxybenzylidene)thiazolidine-2,4-quin...)
Show SMILES Oc1ccc(\C=C2/SC(=O)NC2=O)cc1
Show InChI InChI=1S/C10H7NO3S/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)/b8-5-
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n/an/a 1.34E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate after 30 mins by spectrophotometric analysis


Eur J Med Chem 49: 245-52 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.019
BindingDB Entry DOI: 10.7270/Q2DV1NR2
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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Article
PubMed
n/an/a 2.47E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate after 30 mins by spectrophotometric analysis


Eur J Med Chem 49: 245-52 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.019
BindingDB Entry DOI: 10.7270/Q2DV1NR2
More data for this
Ligand-Target Pair