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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Polyphenol oxidase 2' and Ligand = 'BDBM50526630'   
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))
BDBM50526630
PNG
(CHEMBL9353)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C16H14O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3/t15-,16+/m0/s1
UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
2.05E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate...


Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50526630
PNG
(CHEMBL9353)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C16H14O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3/t15-,16+/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
7.34E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV...


Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50526630
PNG
(CHEMBL9353)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C16H14O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3/t15-,16+/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.12E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectr...


Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50526630
PNG
(CHEMBL9353)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C16H14O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3/t15-,16+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis spectrophoto...


Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair