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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50030717   
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))
BDBM50300459
PNG
(CHEMBL573709 | Kojic acid-phenylalanine amide)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cc(=O)c(O)co1 |r|
Show InChI InChI=1S/C16H16N2O6/c17-15(21)12(6-10-4-2-1-3-5-10)18-16(22)24-8-11-7-13(19)14(20)9-23-11/h1-5,7,9,12,20H,6,8H2,(H2,17,21)(H,18,22)/t12-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as oxidation of L-DOPA


Bioorg Med Chem Lett 19: 5586-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.041
BindingDB Entry DOI: 10.7270/Q2DF6R8S
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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CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


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Article
PubMed
5.83E+5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as oxidation of L-DOPA


Bioorg Med Chem Lett 19: 5586-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.041
BindingDB Entry DOI: 10.7270/Q2DF6R8S
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50300459
PNG
(CHEMBL573709 | Kojic acid-phenylalanine amide)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cc(=O)c(O)co1 |r|
Show InChI InChI=1S/C16H16N2O6/c17-15(21)12(6-10-4-2-1-3-5-10)18-16(22)24-8-11-7-13(19)14(20)9-23-11/h1-5,7,9,12,20H,6,8H2,(H2,17,21)(H,18,22)/t12-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.47E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as oxidation of L-DOPA


Bioorg Med Chem Lett 19: 5586-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.041
BindingDB Entry DOI: 10.7270/Q2DF6R8S
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 7.22E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as oxidation of L-DOPA


Bioorg Med Chem Lett 19: 5586-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.041
BindingDB Entry DOI: 10.7270/Q2DF6R8S
More data for this
Ligand-Target Pair