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Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'dai' and Initial = 'xy'   
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))
BDBM50174577
PNG
(CHEMBL3810334)
Show SMILES Oc1c[nH]c(COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1=O |r|
Show InChI InChI=1S/C23H22N2O6/c26-20-12-18(24-13-21(20)27)15-30-22(28)19(11-16-7-3-1-4-8-16)25-23(29)31-14-17-9-5-2-6-10-17/h1-10,12-13,19,27H,11,14-15H2,(H,24,26)(H,25,29)/t19-/m0/s1
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1.72E+4n/an/an/an/an/an/an/an/a



Zhejiang Gongshang University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-inhibitor complex incubated for 10 mins by Lin...


Bioorg Med Chem Lett 26: 3103-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.006
BindingDB Entry DOI: 10.7270/Q2JM2CJ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50174577
PNG
(CHEMBL3810334)
Show SMILES Oc1c[nH]c(COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1=O |r|
Show InChI InChI=1S/C23H22N2O6/c26-20-12-18(24-13-21(20)27)15-30-22(28)19(11-16-7-3-1-4-8-16)25-23(29)31-14-17-9-5-2-6-10-17/h1-10,12-13,19,27H,11,14-15H2,(H,24,26)(H,25,29)/t19-/m0/s1
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2.21E+4n/an/an/an/an/an/an/an/a



Zhejiang Gongshang University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-substrate-inhibitor complex incubated for 10 m...


Bioorg Med Chem Lett 26: 3103-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.006
BindingDB Entry DOI: 10.7270/Q2JM2CJ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50174582
PNG
(CHEMBL3809975)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cc(=O)c(O)c[nH]1 |r|
Show InChI InChI=1S/C24H26N4O4/c25-19(11-16-7-3-1-4-8-16)23(31)28-20(12-17-9-5-2-6-10-17)24(32)27-14-18-13-21(29)22(30)15-26-18/h1-10,13,15,19-20,30H,11-12,14,25H2,(H,26,29)(H,27,32)(H,28,31)/t19-,20-/m0/s1
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3.44E+4n/an/an/an/an/an/an/an/a



Zhejiang Gongshang University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-inhibitor complex incubated for 10 mins by Lin...


Bioorg Med Chem Lett 26: 3103-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.006
BindingDB Entry DOI: 10.7270/Q2JM2CJ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50174582
PNG
(CHEMBL3809975)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cc(=O)c(O)c[nH]1 |r|
Show InChI InChI=1S/C24H26N4O4/c25-19(11-16-7-3-1-4-8-16)23(31)28-20(12-17-9-5-2-6-10-17)24(32)27-14-18-13-21(29)22(30)15-26-18/h1-10,13,15,19-20,30H,11-12,14,25H2,(H,26,29)(H,27,32)(H,28,31)/t19-,20-/m0/s1
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7.90E+4n/an/an/an/an/an/an/an/a



Zhejiang Gongshang University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-substrate-inhibitor complex incubated for 10 m...


Bioorg Med Chem Lett 26: 3103-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.006
BindingDB Entry DOI: 10.7270/Q2JM2CJ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50174577
PNG
(CHEMBL3810334)
Show SMILES Oc1c[nH]c(COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1=O |r|
Show InChI InChI=1S/C23H22N2O6/c26-20-12-18(24-13-21(20)27)15-30-22(28)19(11-16-7-3-1-4-8-16)25-23(29)31-14-17-9-5-2-6-10-17/h1-10,12-13,19,27H,11,14-15H2,(H,24,26)(H,25,29)/t19-/m0/s1
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n/an/a 1.95E+3n/an/an/an/an/an/a



Zhejiang Gongshang University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate incubated for 10 mins by UV-Visible spectrophotometric anal...


Bioorg Med Chem Lett 26: 3103-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.006
BindingDB Entry DOI: 10.7270/Q2JM2CJ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50174582
PNG
(CHEMBL3809975)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cc(=O)c(O)c[nH]1 |r|
Show InChI InChI=1S/C24H26N4O4/c25-19(11-16-7-3-1-4-8-16)23(31)28-20(12-17-9-5-2-6-10-17)24(32)27-14-18-13-21(29)22(30)15-26-18/h1-10,13,15,19-20,30H,11-12,14,25H2,(H,26,29)(H,27,32)(H,28,31)/t19-,20-/m0/s1
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n/an/a 2.79E+3n/an/an/an/an/an/a



Zhejiang Gongshang University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate incubated for 10 mins by UV-Visible spectrophotometric anal...


Bioorg Med Chem Lett 26: 3103-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.006
BindingDB Entry DOI: 10.7270/Q2JM2CJ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50174584
PNG
(CHEMBL3810170)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCc1cc(=O)c(O)c[nH]1 |r|
Show InChI InChI=1S/C21H28N4O4/c1-13(2)8-17(21(29)24-11-15-10-18(26)19(27)12-23-15)25-20(28)16(22)9-14-6-4-3-5-7-14/h3-7,10,12-13,16-17,27H,8-9,11,22H2,1-2H3,(H,23,26)(H,24,29)(H,25,28)/t16-,17-/m0/s1
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n/an/a 6.93E+3n/an/an/an/an/an/a



Zhejiang Gongshang University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate incubated for 10 mins by UV-Visible spectrophotometric anal...


Bioorg Med Chem Lett 26: 3103-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.006
BindingDB Entry DOI: 10.7270/Q2JM2CJ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50174577
PNG
(CHEMBL3810334)
Show SMILES Oc1c[nH]c(COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1=O |r|
Show InChI InChI=1S/C23H22N2O6/c26-20-12-18(24-13-21(20)27)15-30-22(28)19(11-16-7-3-1-4-8-16)25-23(29)31-14-17-9-5-2-6-10-17/h1-10,12-13,19,27H,11,14-15H2,(H,24,26)(H,25,29)/t19-/m0/s1
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n/an/a 8.97E+3n/an/an/an/an/an/a



Zhejiang Gongshang University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate incubated for 10 mins by UV-Visible spectrophotometric analysis


Bioorg Med Chem Lett 26: 3103-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.006
BindingDB Entry DOI: 10.7270/Q2JM2CJ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50174581
PNG
(CHEMBL3808924)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1cc(=O)c(O)c[nH]1 |r|
Show InChI InChI=1S/C17H18N2O6/c1-11(19-17(23)25-9-12-5-3-2-4-6-12)16(22)24-10-13-7-14(20)15(21)8-18-13/h2-8,11,21H,9-10H2,1H3,(H,18,20)(H,19,23)/t11-/m0/s1
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n/an/a 1.18E+4n/an/an/an/an/an/a



Zhejiang Gongshang University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate incubated for 10 mins by UV-Visible spectrophotometric anal...


Bioorg Med Chem Lett 26: 3103-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.006
BindingDB Entry DOI: 10.7270/Q2JM2CJ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50174578
PNG
(CHEMBL3808959)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1cc(=O)c(O)c[nH]1 |r|
Show InChI InChI=1S/C19H22N2O6/c1-12(2)17(21-19(25)27-10-13-6-4-3-5-7-13)18(24)26-11-14-8-15(22)16(23)9-20-14/h3-9,12,17,23H,10-11H2,1-2H3,(H,20,22)(H,21,25)/t17-/m0/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



Zhejiang Gongshang University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate incubated for 10 mins by UV-Visible spectrophotometric anal...


Bioorg Med Chem Lett 26: 3103-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.006
BindingDB Entry DOI: 10.7270/Q2JM2CJ8
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 1.25E+4n/an/an/an/an/an/a



Zhejiang Gongshang University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate incubated for 10 mins by UV-Visible spectrophotometric anal...


Bioorg Med Chem Lett 26: 3103-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.006
BindingDB Entry DOI: 10.7270/Q2JM2CJ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50174583
PNG
(CHEMBL3809951)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCc1cc(=O)c(O)c[nH]1 |r|
Show InChI InChI=1S/C20H26N4O4/c1-12(2)18(20(28)23-10-14-9-16(25)17(26)11-22-14)24-19(27)15(21)8-13-6-4-3-5-7-13/h3-7,9,11-12,15,18,26H,8,10,21H2,1-2H3,(H,22,25)(H,23,28)(H,24,27)/t15-,18-/m0/s1
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n/an/a 1.43E+4n/an/an/an/an/an/a



Zhejiang Gongshang University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate incubated for 10 mins by UV-Visible spectrophotometric anal...


Bioorg Med Chem Lett 26: 3103-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.006
BindingDB Entry DOI: 10.7270/Q2JM2CJ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50174579
PNG
(CHEMBL3808964)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1cc(=O)c(O)c[nH]1 |r|
Show InChI InChI=1S/C20H24N2O6/c1-3-13(2)18(22-20(26)28-11-14-7-5-4-6-8-14)19(25)27-12-15-9-16(23)17(24)10-21-15/h4-10,13,18,24H,3,11-12H2,1-2H3,(H,21,23)(H,22,26)/t13-,18-/m0/s1
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n/an/a 1.56E+4n/an/an/an/an/an/a



Zhejiang Gongshang University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate incubated for 10 mins by UV-Visible spectrophotometric anal...


Bioorg Med Chem Lett 26: 3103-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.006
BindingDB Entry DOI: 10.7270/Q2JM2CJ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50174582
PNG
(CHEMBL3809975)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cc(=O)c(O)c[nH]1 |r|
Show InChI InChI=1S/C24H26N4O4/c25-19(11-16-7-3-1-4-8-16)23(31)28-20(12-17-9-5-2-6-10-17)24(32)27-14-18-13-21(29)22(30)15-26-18/h1-10,13,15,19-20,30H,11-12,14,25H2,(H,26,29)(H,27,32)(H,28,31)/t19-,20-/m0/s1
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n/an/a 2.62E+4n/an/an/an/an/an/a



Zhejiang Gongshang University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate incubated for 10 mins by UV-Visible spectrophotometric analysis


Bioorg Med Chem Lett 26: 3103-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.006
BindingDB Entry DOI: 10.7270/Q2JM2CJ8
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50174580
PNG
(CHEMBL3809467)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1cc(=O)c(O)c[nH]1 |r|
Show InChI InChI=1S/C20H24N2O6/c1-13(2)8-16(22-20(26)28-11-14-6-4-3-5-7-14)19(25)27-12-15-9-17(23)18(24)10-21-15/h3-7,9-10,13,16,24H,8,11-12H2,1-2H3,(H,21,23)(H,22,26)/t16-/m0/s1
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n/an/a 2.87E+4n/an/an/an/an/an/a



Zhejiang Gongshang University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate incubated for 10 mins by UV-Visible spectrophotometric anal...


Bioorg Med Chem Lett 26: 3103-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.006
BindingDB Entry DOI: 10.7270/Q2JM2CJ8
More data for this
Ligand-Target Pair