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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50045526   
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))
BDBM50066275
PNG
(CHEMBL3401548)
Show SMILES OC(\C=C\c1ccccn1)c1ccccc1O
Show InChI InChI=1S/C14H13NO2/c16-13-7-2-1-6-12(13)14(17)9-8-11-5-3-4-10-15-11/h1-10,14,16-17H/b9-8+
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
2.62E+3n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase assessed as inhibition of L-DOPA oxidase activity at 5 uM active compound by Lineweaver-Burk plot analy...


Bioorg Med Chem Lett 25: 1753-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.060
BindingDB Entry DOI: 10.7270/Q2T72K42
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50066274
PNG
(CHEMBL3401549)
Show SMILES OC(\C=C\c1ccncc1)c1ccccc1O
Show InChI InChI=1S/C14H13NO2/c16-13-4-2-1-3-12(13)14(17)6-5-11-7-9-15-10-8-11/h1-10,14,16-17H/b6-5+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.10E+3n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase assessed as inhibition of L-DOPA oxidase activity at 5 uM active compound by Lineweaver-Burk plot analy...


Bioorg Med Chem Lett 25: 1753-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.060
BindingDB Entry DOI: 10.7270/Q2T72K42
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
UniProtKB/SwissProt

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DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
8.89E+3n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase assessed as inhibition of L-DOPA oxidase activity at 5 uM active compound by Lineweaver-Burk plot analy...


Bioorg Med Chem Lett 25: 1753-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.060
BindingDB Entry DOI: 10.7270/Q2T72K42
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50066275
PNG
(CHEMBL3401548)
Show SMILES OC(\C=C\c1ccccn1)c1ccccc1O
Show InChI InChI=1S/C14H13NO2/c16-13-7-2-1-6-12(13)14(17)9-8-11-5-3-4-10-15-11/h1-10,14,16-17H/b9-8+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase assessed as inhibition of L-DOPA oxidase activity


Bioorg Med Chem Lett 25: 1753-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.060
BindingDB Entry DOI: 10.7270/Q2T72K42
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50066274
PNG
(CHEMBL3401549)
Show SMILES OC(\C=C\c1ccncc1)c1ccccc1O
Show InChI InChI=1S/C14H13NO2/c16-13-4-2-1-3-12(13)14(17)6-5-11-7-9-15-10-8-11/h1-10,14,16-17H/b6-5+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase assessed as inhibition of L-DOPA oxidase activity


Bioorg Med Chem Lett 25: 1753-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.060
BindingDB Entry DOI: 10.7270/Q2T72K42
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.73E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase assessed as inhibition of L-DOPA oxidase activity


Bioorg Med Chem Lett 25: 1753-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.060
BindingDB Entry DOI: 10.7270/Q2T72K42
More data for this
Ligand-Target Pair