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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Polyphenol oxidase 2' and Ligand = 'BDBM50134709'   
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))
BDBM50134709
PNG
(CHEMBL3747057)
Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O |r,c:16|
Show InChI InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m0/s1
UniProtKB/SwissProt

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MCE
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1.5n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Time dependent inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate measured every 30 secs by Morrison and Walsh...


Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50134709
PNG
(CHEMBL3747057)
Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O |r,c:16|
Show InChI InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m0/s1
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CHEMBL
MCE
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19n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...


Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50134709
PNG
(CHEMBL3747057)
Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O |r,c:16|
Show InChI InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m0/s1
UniProtKB/SwissProt

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MCE
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130n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 to 60 mins by Lineweaver-Burk and ...


Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50134709
PNG
(CHEMBL3747057)
Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O |r,c:16|
Show InChI InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m0/s1
UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
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Article
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n/an/a 30n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated with substrate for 10 mins followed by protein...


Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50134709
PNG
(CHEMBL3747057)
Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O |r,c:16|
Show InChI InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addit...


Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair