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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50006126   
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))
BDBM50241361
PNG
(CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...)
Show SMILES Cn1cc[nH]c1=S
Show InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
UniProtKB/SwissProt

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MCE
KEGG
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Article
PubMed
4.70E+5n/an/an/an/an/an/an/an/a



Hungkuang University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of mushroom tyrosinase-mediated L-tyrosine oxidation assessed as enzyme-inhibitor complex after 10 mins by Lineweaver-Burk plot...


Bioorg Med Chem 22: 2809-15 (2014)


Article DOI: 10.1016/j.bmc.2014.03.009
BindingDB Entry DOI: 10.7270/Q2417125
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50497083
PNG
(CHEMBL3260774)
Show SMILES Sc1ncc[nH]1
Show InChI InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
5.70E+5n/an/an/an/an/an/an/an/a



Hungkuang University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of mushroom tyrosinase-mediated L-tyrosine oxidation assessed as enzyme-inhibitor complex after 10 mins by Lineweaver-Burk plot...


Bioorg Med Chem 22: 2809-15 (2014)


Article DOI: 10.1016/j.bmc.2014.03.009
BindingDB Entry DOI: 10.7270/Q2417125
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50497084
PNG
(CHEMBL3260775)
Show SMILES Cn1ccn(C(=O)OC(C)(C)C)c1=S
Show InChI InChI=1S/C9H14N2O2S/c1-9(2,3)13-8(12)11-6-5-10(4)7(11)14/h5-6H,1-4H3
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
1.75E+6n/an/an/an/an/an/an/an/a



Hungkuang University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of mushroom tyrosinase-mediated L-tyrosine oxidation assessed as enzyme-inhibitor complex after 10 mins by Lineweaver-Burk ...


Bioorg Med Chem 22: 2809-15 (2014)


Article DOI: 10.1016/j.bmc.2014.03.009
BindingDB Entry DOI: 10.7270/Q2417125
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50241361
PNG
(CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...)
Show SMILES Cn1cc[nH]c1=S
Show InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
UniProtKB/SwissProt

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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 1.43E+6n/an/an/an/an/an/a



Hungkuang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase-mediated L-tyrosine hydroxylation after 30 mins by ELISA


Bioorg Med Chem 22: 2809-15 (2014)


Article DOI: 10.1016/j.bmc.2014.03.009
BindingDB Entry DOI: 10.7270/Q2417125
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50497084
PNG
(CHEMBL3260775)
Show SMILES Cn1ccn(C(=O)OC(C)(C)C)c1=S
Show InChI InChI=1S/C9H14N2O2S/c1-9(2,3)13-8(12)11-6-5-10(4)7(11)14/h5-6H,1-4H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.45E+6n/an/an/an/an/an/a



Hungkuang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase-mediated L-tyrosine hydroxylation after 30 mins by ELISA


Bioorg Med Chem 22: 2809-15 (2014)


Article DOI: 10.1016/j.bmc.2014.03.009
BindingDB Entry DOI: 10.7270/Q2417125
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50497083
PNG
(CHEMBL3260774)
Show SMILES Sc1ncc[nH]1
Show InChI InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.11E+6n/an/an/an/an/an/a



Hungkuang University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase-mediated L-tyrosine hydroxylation after 30 mins by ELISA


Bioorg Med Chem 22: 2809-15 (2014)


Article DOI: 10.1016/j.bmc.2014.03.009
BindingDB Entry DOI: 10.7270/Q2417125
More data for this
Ligand-Target Pair