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PubMed code 21041086

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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))
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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MCE
KEGG
PC cid
PC sid
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Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



University of Tokushima

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 20: 7393-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.040
BindingDB Entry DOI: 10.7270/Q26110KT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50331789
PNG
((R)-2-(3-(3,4-dihydroxyphenyl)acryloyloxy)-3-(6-et...)
Show SMILES CCOc1cc(=O)c(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)C(O)=O)coc1=O |r|
Show InChI InChI=1S/C20H18O10/c1-2-28-17-9-14(22)12(10-29-20(17)27)8-16(19(25)26)30-18(24)6-4-11-3-5-13(21)15(23)7-11/h3-7,9-10,16,21,23H,2,8H2,1H3,(H,25,26)/b6-4+/t16-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



University of Tokushima

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 20: 7393-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.040
BindingDB Entry DOI: 10.7270/Q26110KT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
UniProtKB/SwissProt

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CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


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Article
PubMed
n/an/a 2.50E+5n/an/an/an/an/an/a



University of Tokushima

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 20: 7393-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.040
BindingDB Entry DOI: 10.7270/Q26110KT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%