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PubMed code 26318997

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
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))
BDBM50121842
PNG
(CHEMBL3617039)
Show SMILES O\N=C(/C=C/c1cccnc1)\c1cc2ccccc2cc1O
Show InChI InChI=1S/C18H14N2O2/c21-18-11-15-6-2-1-5-14(15)10-16(18)17(20-22)8-7-13-4-3-9-19-12-13/h1-12,21-22H/b8-7+,20-17+
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Article
PubMed
6.46E+3n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate at 5 uM by Dixon plot


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121843
PNG
(CHEMBL3617128)
Show SMILES O\N=C(/C=C/c1ccncc1)\c1cc2ccccc2cc1O
Show InChI InChI=1S/C18H14N2O2/c21-18-12-15-4-2-1-3-14(15)11-16(18)17(20-22)6-5-13-7-9-19-10-8-13/h1-12,21-22H/b6-5+,20-17+
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PubMed
7.82E+3n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate at 5 uM by Dixon plot


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121845
PNG
(CHEMBL3617130)
Show SMILES COc1ccc(OC)c(\C=C\C(=N/O)\c2cc3ccccc3cc2O)c1
Show InChI InChI=1S/C21H19NO4/c1-25-17-8-10-21(26-2)16(11-17)7-9-19(22-24)18-12-14-5-3-4-6-15(14)13-20(18)23/h3-13,23-24H,1-2H3/b9-7+,22-19+
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PubMed
9.40E+3n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate at 5 uM by Dixon plot


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121844
PNG
(CHEMBL3617129)
Show SMILES COc1ccc(\C=C\C(=N/O)\c2cc3ccccc3cc2O)c(OC)c1
Show InChI InChI=1S/C21H19NO4/c1-25-17-9-7-14(21(13-17)26-2)8-10-19(22-24)18-11-15-5-3-4-6-16(15)12-20(18)23/h3-13,23-24H,1-2H3/b10-8+,22-19+
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PubMed
1.06E+4n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate at 5 uM by Dixon plot


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121848
PNG
(CHEMBL3617038)
Show SMILES O\N=C(/C=C/c1ccccn1)\c1cc2ccccc2cc1O
Show InChI InChI=1S/C18H14N2O2/c21-18-12-14-6-2-1-5-13(14)11-16(18)17(20-22)9-8-15-7-3-4-10-19-15/h1-12,21-22H/b9-8+,20-17+
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PubMed
1.11E+4n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate at 5 uM by Dixon plot


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121846
PNG
(CHEMBL3617131)
Show SMILES COc1ccc(\C=C\C(=N/O)\c2cc3ccccc3cc2O)cc1OC
Show InChI InChI=1S/C21H19NO4/c1-25-20-10-8-14(11-21(20)26-2)7-9-18(22-24)17-12-15-5-3-4-6-16(15)13-19(17)23/h3-13,23-24H,1-2H3/b9-7+,22-18+
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PubMed
2.30E+4n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate at 5 uM by Dixon plot


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121847
PNG
(CHEMBL3617132)
Show SMILES COc1cc(OC)cc(\C=C\C(=N/O)\c2cc3ccccc3cc2O)c1
Show InChI InChI=1S/C21H19NO4/c1-25-17-9-14(10-18(13-17)26-2)7-8-20(22-24)19-11-15-5-3-4-6-16(15)12-21(19)23/h3-13,23-24H,1-2H3/b8-7+,22-20+
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PubMed
2.86E+4n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate at 5 uM by Dixon plot


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
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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PubMed
n/an/a 1.12E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate at 5 uM by Dixon plot


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121842
PNG
(CHEMBL3617039)
Show SMILES O\N=C(/C=C/c1cccnc1)\c1cc2ccccc2cc1O
Show InChI InChI=1S/C18H14N2O2/c21-18-11-15-6-2-1-5-14(15)10-16(18)17(20-22)8-7-13-4-3-9-19-12-13/h1-12,21-22H/b8-7+,20-17+
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PubMed
n/an/a 1.22E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121843
PNG
(CHEMBL3617128)
Show SMILES O\N=C(/C=C/c1ccncc1)\c1cc2ccccc2cc1O
Show InChI InChI=1S/C18H14N2O2/c21-18-12-15-4-2-1-3-14(15)11-16(18)17(20-22)6-5-13-7-9-19-10-8-13/h1-12,21-22H/b6-5+,20-17+
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PubMed
n/an/a 1.95E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121848
PNG
(CHEMBL3617038)
Show SMILES O\N=C(/C=C/c1ccccn1)\c1cc2ccccc2cc1O
Show InChI InChI=1S/C18H14N2O2/c21-18-12-14-6-2-1-5-13(14)11-16(18)17(20-22)9-8-15-7-3-4-10-19-15/h1-12,21-22H/b9-8+,20-17+
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Article
PubMed
n/an/a 2.03E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121845
PNG
(CHEMBL3617130)
Show SMILES COc1ccc(OC)c(\C=C\C(=N/O)\c2cc3ccccc3cc2O)c1
Show InChI InChI=1S/C21H19NO4/c1-25-17-8-10-21(26-2)16(11-17)7-9-19(22-24)18-12-14-5-3-4-6-15(14)13-20(18)23/h3-13,23-24H,1-2H3/b9-7+,22-19+
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PubMed
n/an/a 2.19E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121844
PNG
(CHEMBL3617129)
Show SMILES COc1ccc(\C=C\C(=N/O)\c2cc3ccccc3cc2O)c(OC)c1
Show InChI InChI=1S/C21H19NO4/c1-25-17-9-7-14(21(13-17)26-2)8-10-19(22-24)18-11-15-5-3-4-6-16(15)12-20(18)23/h3-13,23-24H,1-2H3/b10-8+,22-19+
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PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
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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PubMed
n/an/a 2.37E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121846
PNG
(CHEMBL3617131)
Show SMILES COc1ccc(\C=C\C(=N/O)\c2cc3ccccc3cc2O)cc1OC
Show InChI InChI=1S/C21H19NO4/c1-25-20-10-8-14(11-21(20)26-2)7-9-18(22-24)17-12-15-5-3-4-6-16(15)13-19(17)23/h3-13,23-24H,1-2H3/b9-7+,22-18+
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PubMed
n/an/a 4.23E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121847
PNG
(CHEMBL3617132)
Show SMILES COc1cc(OC)cc(\C=C\C(=N/O)\c2cc3ccccc3cc2O)c1
Show InChI InChI=1S/C21H19NO4/c1-25-17-9-14(10-18(13-17)26-2)7-8-20(22-24)19-11-15-5-3-4-6-16(15)12-21(19)23/h3-13,23-24H,1-2H3/b8-7+,22-20+
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n/an/a 5.29E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%