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PubMed code 26462055

Compile data set for download or QSAR
Found 7 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))		BDBM50128827
PNG
(CHEMBL3629349)
Show SMILES O=C1OC(=N\C1=C\c1cccs1)c1ccc(cc1)\N=N\c1ccc(cc1)N1CCOCC1 |c:3|
Show InChI InChI=1S/C24H20N4O3S/c29-24-22(16-21-2-1-15-32-21)25-23(31-24)17-3-5-18(6-4-17)26-27-19-7-9-20(10-8-19)28-11-13-30-14-12-28/h1-10,15-16H,11-14H2/b22-16+,27-26+
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n/an/a 1.37E+4n/an/an/an/an/an/a



Payame Noor University (PNU)

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as formation of L-DOPA chrome preincubated for 10 mins followed by addition of s...

Bioorg Med Chem 23: 7089-94 (2015)


Article DOI: 10.1016/j.bmc.2015.09.015
BindingDB Entry DOI: 10.7270/Q2PG1TJ4
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50128826
PNG
(CHEMBL3629218)
Show SMILES Fc1ccc(\C=C2\N=C(OC2=O)c2ccc(cc2)\N=N\c2ccc(cc2)N2CCOCC2)cc1 |c:7|
Show InChI InChI=1S/C26H21FN4O3/c27-20-5-1-18(2-6-20)17-24-26(32)34-25(28-24)19-3-7-21(8-4-19)29-30-22-9-11-23(12-10-22)31-13-15-33-16-14-31/h1-12,17H,13-16H2/b24-17+,30-29+
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n/an/a 1.58E+4n/an/an/an/an/an/a



Payame Noor University (PNU)

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as formation of L-DOPA chrome preincubated for 10 mins followed by addition of s...

Bioorg Med Chem 23: 7089-94 (2015)


Article DOI: 10.1016/j.bmc.2015.09.015
BindingDB Entry DOI: 10.7270/Q2PG1TJ4
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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n/an/a 1.60E+4n/an/an/an/an/an/a



Payame Noor University (PNU)

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as formation of L-DOPA chrome preincubated for 10 mins followed by addition of s...

Bioorg Med Chem 23: 7089-94 (2015)


Article DOI: 10.1016/j.bmc.2015.09.015
BindingDB Entry DOI: 10.7270/Q2PG1TJ4
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50128829
PNG
(CHEMBL3629219)
Show SMILES Fc1ccc(\C=C2\N=C(OC2=O)c2ccc(cc2)\N=N\c2ccc(cc2)N2CCOCC2)c(Cl)c1 |c:7|
Show InChI InChI=1S/C26H20ClFN4O3/c27-23-16-19(28)4-1-18(23)15-24-26(33)35-25(29-24)17-2-5-20(6-3-17)30-31-21-7-9-22(10-8-21)32-11-13-34-14-12-32/h1-10,15-16H,11-14H2/b24-15+,31-30+
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n/an/a 1.60E+4n/an/an/an/an/an/a



Payame Noor University (PNU)

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as formation of L-DOPA chrome preincubated for 10 mins followed by addition of s...

Bioorg Med Chem 23: 7089-94 (2015)


Article DOI: 10.1016/j.bmc.2015.09.015
BindingDB Entry DOI: 10.7270/Q2PG1TJ4
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50128825
PNG
(CHEMBL3629217)
Show SMILES O=C1OC(=N\C1=C\c1ccccc1)c1ccc(cc1)\N=N\c1ccc(cc1)N1CCOCC1 |c:3|
Show InChI InChI=1S/C26H22N4O3/c31-26-24(18-19-4-2-1-3-5-19)27-25(33-26)20-6-8-21(9-7-20)28-29-22-10-12-23(13-11-22)30-14-16-32-17-15-30/h1-13,18H,14-17H2/b24-18+,29-28+
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n/an/a 1.72E+4n/an/an/an/an/an/a



Payame Noor University (PNU)

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as formation of L-DOPA chrome preincubated for 10 mins followed by addition of s...

Bioorg Med Chem 23: 7089-94 (2015)


Article DOI: 10.1016/j.bmc.2015.09.015
BindingDB Entry DOI: 10.7270/Q2PG1TJ4
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50128824
PNG
(CHEMBL3629220)
Show SMILES Clc1ccc(\C=C2\N=C(OC2=O)c2ccc(cc2)\N=N\c2ccc(cc2)N2CCOCC2)cc1 |c:7|
Show InChI InChI=1S/C26H21ClN4O3/c27-20-5-1-18(2-6-20)17-24-26(32)34-25(28-24)19-3-7-21(8-4-19)29-30-22-9-11-23(12-10-22)31-13-15-33-16-14-31/h1-12,17H,13-16H2/b24-17+,30-29+
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n/an/a 1.89E+4n/an/an/an/an/an/a



Payame Noor University (PNU)

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as formation of L-DOPA chrome preincubated for 10 mins followed by addition of s...

Bioorg Med Chem 23: 7089-94 (2015)


Article DOI: 10.1016/j.bmc.2015.09.015
BindingDB Entry DOI: 10.7270/Q2PG1TJ4
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50128828
PNG
(CHEMBL3629348)
Show SMILES [O-][N+](=O)c1ccccc1\C=C1\N=C(OC1=O)c1ccc(cc1)\N=N\c1ccc(cc1)N1CCOCC1 |c:12|
Show InChI InChI=1S/C26H21N5O5/c32-26-23(17-19-3-1-2-4-24(19)31(33)34)27-25(36-26)18-5-7-20(8-6-18)28-29-21-9-11-22(12-10-21)30-13-15-35-16-14-30/h1-12,17H,13-16H2/b23-17+,29-28+
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n/an/a 2.03E+4n/an/an/an/an/an/a



Payame Noor University (PNU)

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as formation of L-DOPA chrome preincubated for 10 mins followed by addition of s...

Bioorg Med Chem 23: 7089-94 (2015)


Article DOI: 10.1016/j.bmc.2015.09.015
BindingDB Entry DOI: 10.7270/Q2PG1TJ4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%