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PubMed code 20476840

Compile data set for download or QSAR
Found 9 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 1


(Agaricus bisporus (White button mushroom))		BDBM233168
PNG
(N-(2-Hydroxy-ethyl)-3,5-dinitro-benzamide (7))
Show SMILES OCCNC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C9H9N3O6/c13-2-1-10-9(14)6-3-7(11(15)16)5-8(4-6)12(17)18/h3-5,13H,1-2H2,(H,10,14)
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UniChem
Article
PubMed
n/an/a 1.09E+3n/an/an/an/a6.825



Yonsei University



Assay Description
Tyrosinase inhibition assays were performed in a 96-well microplate format using the SpectraMax 340 microplate reader (Molecular Devices, CA) accordi...

J Enzyme Inhib Med Chem 25: 812-7 (2010)


Article DOI: 10.3109/14756366.2010.482529
BindingDB Entry DOI: 10.7270/Q2NK3CX5
More data for this
Ligand-Target Pair
Polyphenol oxidase 1


(Agaricus bisporus (White button mushroom))		BDBM233170
PNG
(N-Hydroxy-4,N-dimethyl-benzamide (9))
Show SMILES CN(O)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C9H11NO2/c1-7-3-5-8(6-4-7)9(11)10(2)12/h3-6,12H,1-2H3
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UniChem
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PubMed
n/an/a 2.09E+3n/an/an/an/a6.825



Yonsei University



Assay Description
Tyrosinase inhibition assays were performed in a 96-well microplate format using the SpectraMax 340 microplate reader (Molecular Devices, CA) accordi...

J Enzyme Inhib Med Chem 25: 812-7 (2010)


Article DOI: 10.3109/14756366.2010.482529
BindingDB Entry DOI: 10.7270/Q2NK3CX5
More data for this
Ligand-Target Pair
Polyphenol oxidase 1


(Agaricus bisporus (White button mushroom))		BDBM233169
PNG
(N-(2-Bromo-ethyl)-3,5-dinitro-benzamide (8))
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)NCCBr
Show InChI InChI=1S/C9H8BrN3O5/c10-1-2-11-9(14)6-3-7(12(15)16)5-8(4-6)13(17)18/h3-5H,1-2H2,(H,11,14)
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UniChem
Article
PubMed
n/an/a 3.08E+3n/an/an/an/a6.825



Yonsei University



Assay Description
Tyrosinase inhibition assays were performed in a 96-well microplate format using the SpectraMax 340 microplate reader (Molecular Devices, CA) accordi...

J Enzyme Inhib Med Chem 25: 812-7 (2010)


Article DOI: 10.3109/14756366.2010.482529
BindingDB Entry DOI: 10.7270/Q2NK3CX5
More data for this
Ligand-Target Pair
Polyphenol oxidase 1


(Agaricus bisporus (White button mushroom))		BDBM50198715
PNG
((2S)-2-amino-3-(3-hydroxy-4-oxopyridin-1(4H)-yl)pr...)
Show SMILES N[C@@H](Cn1ccc(=O)c(O)c1)C(O)=O
Show InChI InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1
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PubMed
n/an/a 3.68E+3n/an/an/an/a6.825



Yonsei University



Assay Description
Tyrosinase inhibition assays were performed in a 96-well microplate format using the SpectraMax 340 microplate reader (Molecular Devices, CA) accordi...

J Enzyme Inhib Med Chem 25: 812-7 (2010)


Article DOI: 10.3109/14756366.2010.482529
BindingDB Entry DOI: 10.7270/Q2NK3CX5
More data for this
Ligand-Target Pair
Polyphenol oxidase 1


(Agaricus bisporus (White button mushroom))		BDBM233171
PNG
(N-Ethyl-benzamide (10))
Show SMILES CCNC(=O)c1ccccc1
Show InChI InChI=1S/C9H11NO/c1-2-10-9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
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UniChem
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PubMed
n/an/a 1.18E+4n/an/an/an/a6.825



Yonsei University



Assay Description
Tyrosinase inhibition assays were performed in a 96-well microplate format using the SpectraMax 340 microplate reader (Molecular Devices, CA) accordi...

J Enzyme Inhib Med Chem 25: 812-7 (2010)


Article DOI: 10.3109/14756366.2010.482529
BindingDB Entry DOI: 10.7270/Q2NK3CX5
More data for this
Ligand-Target Pair
Polyphenol oxidase 1


(Agaricus bisporus (White button mushroom))		BDBM233166
PNG
(3-Methyl-2-butenyl-4-hydroxybenzoate (2))
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6](=O)-c1ccc(-[#8])cc1
Show InChI InChI=1S/C12H14O3/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-7,13H,8H2,1-2H3
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n/an/a 1.48E+4n/an/an/an/a6.825



Yonsei University



Assay Description
Tyrosinase inhibition assays were performed in a 96-well microplate format using the SpectraMax 340 microplate reader (Molecular Devices, CA) accordi...

J Enzyme Inhib Med Chem 25: 812-7 (2010)


Article DOI: 10.3109/14756366.2010.482529
BindingDB Entry DOI: 10.7270/Q2NK3CX5
More data for this
Ligand-Target Pair
Polyphenol oxidase 1


(Agaricus bisporus (White button 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 1.67E+4n/an/an/an/a6.825



Yonsei University



Assay Description
Tyrosinase inhibition assays were performed in a 96-well microplate format using the SpectraMax 340 microplate reader (Molecular Devices, CA) accordi...

J Enzyme Inhib Med Chem 25: 812-7 (2010)


Article DOI: 10.3109/14756366.2010.482529
BindingDB Entry DOI: 10.7270/Q2NK3CX5
More data for this
Ligand-Target Pair
Polyphenol oxidase 1


(Agaricus bisporus (White button mushroom))		BDBM233167
PNG
(4-Nitro-phenyl-(4-nitro-2-trifluoromethyl)-benzoat...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)c2ccc(cc2C(F)(F)F)[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H7F3N2O6/c15-14(16,17)12-7-9(19(23)24)3-6-11(12)13(20)25-10-4-1-8(2-5-10)18(21)22/h1-7H
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n/an/a 2.97E+4n/an/an/an/a6.825



Yonsei University



Assay Description
Tyrosinase inhibition assays were performed in a 96-well microplate format using the SpectraMax 340 microplate reader (Molecular Devices, CA) accordi...

J Enzyme Inhib Med Chem 25: 812-7 (2010)


Article DOI: 10.3109/14756366.2010.482529
BindingDB Entry DOI: 10.7270/Q2NK3CX5
More data for this
Ligand-Target Pair
Polyphenol oxidase 1


(Agaricus bisporus (White button mushroom))		BDBM233165
PNG
(3-Methyl-2-butenylbenzoate (1))
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6](=O)-c1ccccc1
Show InChI InChI=1S/C12H14O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
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PubMed
n/an/a 8.34E+4n/an/an/an/a6.825



Yonsei University



Assay Description
Tyrosinase inhibition assays were performed in a 96-well microplate format using the SpectraMax 340 microplate reader (Molecular Devices, CA) accordi...

J Enzyme Inhib Med Chem 25: 812-7 (2010)


Article DOI: 10.3109/14756366.2010.482529
BindingDB Entry DOI: 10.7270/Q2NK3CX5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%