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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'vontzalidou' and Initial = 'a'   
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))
BDBM111100
PNG
(US9682910, 4-(4-hydroxyphenethylbenzene)-1,3-diol ...)
Show SMILES Oc1ccc(CCc2ccc(O)cc2O)cc1
Show InChI InChI=1S/C14H14O3/c15-12-6-2-10(3-7-12)1-4-11-5-8-13(16)9-14(11)17/h2-3,5-9,15-17H,1,4H2
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.44E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 10 mins


Bioorg Med Chem Lett 22: 5523-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.029
BindingDB Entry DOI: 10.7270/Q29C7199
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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DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.96E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 10 mins


Bioorg Med Chem Lett 22: 5523-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.029
BindingDB Entry DOI: 10.7270/Q29C7199
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM111099
PNG
(US9682910, 4-Phenethylbenzene-1,3-diol (12))
Show SMILES Oc1ccc(CCc2ccccc2)c(O)c1
Show InChI InChI=1S/C14H14O2/c15-13-9-8-12(14(16)10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10,15-16H,6-7H2
UniProtKB/SwissProt

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UniChem
Article
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n/an/a 3.06E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 10 mins


Bioorg Med Chem Lett 22: 5523-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.029
BindingDB Entry DOI: 10.7270/Q29C7199
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM111101
PNG
(US9682910, 4-(4-methoxyphenethyl)benzene-1,3-diol ...)
Show SMILES COc1ccc(CCc2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H16O3/c1-18-14-8-3-11(4-9-14)2-5-12-6-7-13(16)10-15(12)17/h3-4,6-10,16-17H,2,5H2,1H3
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.16E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 10 mins


Bioorg Med Chem Lett 22: 5523-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.029
BindingDB Entry DOI: 10.7270/Q29C7199
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50486030
PNG
(CHEMBL2206924)
Show SMILES Oc1ccc(CCc2ccccc2Cl)c(O)c1
Show InChI InChI=1S/C14H13ClO2/c15-13-4-2-1-3-10(13)5-6-11-7-8-12(16)9-14(11)17/h1-4,7-9,16-17H,5-6H2
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.38E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 10 mins


Bioorg Med Chem Lett 22: 5523-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.029
BindingDB Entry DOI: 10.7270/Q29C7199
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50486031
PNG
(CHEMBL2206923)
Show SMILES Oc1ccc(CCc2ccc(F)cc2)c(O)c1
Show InChI InChI=1S/C14H13FO2/c15-12-6-2-10(3-7-12)1-4-11-5-8-13(16)9-14(11)17/h2-3,5-9,16-17H,1,4H2
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.96E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 10 mins


Bioorg Med Chem Lett 22: 5523-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.029
BindingDB Entry DOI: 10.7270/Q29C7199
More data for this
Ligand-Target Pair