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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50009900   
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))
BDBM50145829
PNG
(4-Aminobenzoesaeure | 4-aminobenzoic acid | CHEMBL...)
Show SMILES Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as dopachrome formation preincubated for 10 mins followed by protein additio...


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50145829
PNG
(4-Aminobenzoesaeure | 4-aminobenzoic acid | CHEMBL...)
Show SMILES Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as dopachrome formation preincubated for 10 mins followed by protein additio...


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50195793
PNG
(CHEMBL123234)
Show SMILES OC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,14,15)
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n/an/a 6.97E+3n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as substrate measured every 60 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50195793
PNG
(CHEMBL123234)
Show SMILES OC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,14,15)
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n/an/a 6.97E+3n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as substrate measured every 60 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50195793
PNG
(CHEMBL123234)
Show SMILES OC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,14,15)
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n/an/a 3.63E+4n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate measured every 30 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50195793
PNG
(CHEMBL123234)
Show SMILES OC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,14,15)
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n/an/a 3.63E+4n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate measured every 30 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50060971
PNG
(Biphenyl-4-carboxylic acid | CHEMBL107057)
Show SMILES OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
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n/an/a 6.32E+4n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as substrate measured every 60 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50060971
PNG
(Biphenyl-4-carboxylic acid | CHEMBL107057)
Show SMILES OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
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n/an/a 6.32E+4n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as substrate measured every 60 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50060971
PNG
(Biphenyl-4-carboxylic acid | CHEMBL107057)
Show SMILES OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
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n/an/a 2.16E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate measured every 30 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50060971
PNG
(Biphenyl-4-carboxylic acid | CHEMBL107057)
Show SMILES OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
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n/an/a 2.16E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate measured every 30 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM197302
PNG
(Benzoic acid | SAMPL4, O1)
Show SMILES OC(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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n/an/a 2.25E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as substrate measured every 60 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM197302
PNG
(Benzoic acid | SAMPL4, O1)
Show SMILES OC(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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n/an/a 2.25E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as substrate measured every 60 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM243072
PNG
(Anisic acid)
Show SMILES COc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
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n/an/a 4.20E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as dopachrome formation preincubated for 10 mins followed by protein additio...


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM243072
PNG
(Anisic acid)
Show SMILES COc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
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n/an/a 4.20E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as dopachrome formation preincubated for 10 mins followed by protein additio...


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM197302
PNG
(Benzoic acid | SAMPL4, O1)
Show SMILES OC(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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n/an/a 7.10E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 mins followed by substrate addition measured for 2 mins by spectrophot...


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM197302
PNG
(Benzoic acid | SAMPL4, O1)
Show SMILES OC(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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n/an/a 7.10E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 mins followed by substrate addition measured for 2 mins by spectrophot...


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM197302
PNG
(Benzoic acid | SAMPL4, O1)
Show SMILES OC(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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n/an/a 8.22E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate measured every 30 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM197302
PNG
(Benzoic acid | SAMPL4, O1)
Show SMILES OC(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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n/an/a 8.22E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate measured every 30 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50533338
PNG
(CHEMBL3092388)
Show SMILES OC(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,14,15)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as substrate measured every 60 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50533338
PNG
(CHEMBL3092388)
Show SMILES OC(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,14,15)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as substrate measured every 60 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50533338
PNG
(CHEMBL3092388)
Show SMILES OC(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,14,15)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate measured every 30 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50533338
PNG
(CHEMBL3092388)
Show SMILES OC(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,14,15)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate measured every 30 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair