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Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'warangkar' and Initial = 'sc'   
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))
BDBM50324036
PNG
(2-[5-(2,4-Dimethoxy-phenyl)-1H-pyrazol-3-yl]-6-(2-...)
Show SMILES COc1ccc(-c2cc([nH]n2)-c2c(OC)cc(OC)c(C3CCN(C)C3CO)c2O)c(OC)c1
Show InChI InChI=1S/C25H31N3O6/c1-28-9-8-16(19(28)13-29)23-21(33-4)12-22(34-5)24(25(23)30)18-11-17(26-27-18)15-7-6-14(31-2)10-20(15)32-3/h6-7,10-12,16,19,29-30H,8-9,13H2,1-5H3,(H,26,27)
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840n/an/an/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50324036
PNG
(2-[5-(2,4-Dimethoxy-phenyl)-1H-pyrazol-3-yl]-6-(2-...)
Show SMILES COc1ccc(-c2cc([nH]n2)-c2c(OC)cc(OC)c(C3CCN(C)C3CO)c2O)c(OC)c1
Show InChI InChI=1S/C25H31N3O6/c1-28-9-8-16(19(28)13-29)23-21(33-4)12-22(34-5)24(25(23)30)18-11-17(26-27-18)15-7-6-14(31-2)10-20(15)32-3/h6-7,10-12,16,19,29-30H,8-9,13H2,1-5H3,(H,26,27)
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960n/an/an/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase assessed as oxidation of L-DOPA


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50491384
PNG
(CHEMBL2380377)
Show SMILES COc1ccc(NC2=NC(=O)\C(S2)=C\c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)c(OC)c1 |t:7|
Show InChI InChI=1S/C27H21ClN4O3S/c1-34-21-12-13-22(23(15-21)35-2)29-27-30-26(33)24(36-27)14-18-16-32(20-6-4-3-5-7-20)31-25(18)17-8-10-19(28)11-9-17/h3-16H,1-2H3,(H,29,30,33)/b24-14-
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5.70E+3n/an/an/an/an/an/an/an/a



Bahirji Smarak Mahavidyalaya

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase diphenolase activity assessed as L-DOPA conversion to dopachrome by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 2772-7 (2013)


Article DOI: 10.1016/j.bmc.2012.12.053
BindingDB Entry DOI: 10.7270/Q2G44T6G
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50491381
PNG
(CHEMBL2380379)
Show SMILES COc1ccc(NC2=NC(=O)\C(S2)=C\c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)c(OC)c1 |t:7|
Show InChI InChI=1S/C27H21FN4O3S/c1-34-21-12-13-22(23(15-21)35-2)29-27-30-26(33)24(36-27)14-18-16-32(20-6-4-3-5-7-20)31-25(18)17-8-10-19(28)11-9-17/h3-16H,1-2H3,(H,29,30,33)/b24-14-
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7.18E+3n/an/an/an/an/an/an/an/a



Bahirji Smarak Mahavidyalaya

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase diphenolase activity assessed as L-DOPA conversion to dopachrome by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 2772-7 (2013)


Article DOI: 10.1016/j.bmc.2012.12.053
BindingDB Entry DOI: 10.7270/Q2G44T6G
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50491382
PNG
(CHEMBL2380378)
Show SMILES COc1ccc(NC2=NC(=O)\C(S2)=C\c2cn(nc2-c2ccc(Br)cc2)-c2ccccc2)c(OC)c1 |t:7|
Show InChI InChI=1S/C27H21BrN4O3S/c1-34-21-12-13-22(23(15-21)35-2)29-27-30-26(33)24(36-27)14-18-16-32(20-6-4-3-5-7-20)31-25(18)17-8-10-19(28)11-9-17/h3-16H,1-2H3,(H,29,30,33)/b24-14-
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9.46E+3n/an/an/an/an/an/an/an/a



Bahirji Smarak Mahavidyalaya

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase diphenolase activity assessed as L-DOPA conversion to dopachrome by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 2772-7 (2013)


Article DOI: 10.1016/j.bmc.2012.12.053
BindingDB Entry DOI: 10.7270/Q2G44T6G
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50324035
PNG
(2-[5-(2-Chloro-4-nitro-phenyl)-1H-pyrazol-3-yl]-6-...)
Show SMILES COc1cc(OC)c(-c2cc(n[nH]2)-c2ccc(cc2Cl)[N+]([O-])=O)c(O)c1C1CCN(C)C1CO
Show InChI InChI=1S/C23H25ClN4O6/c1-27-7-6-14(18(27)11-29)21-19(33-2)10-20(34-3)22(23(21)30)17-9-16(25-26-17)13-5-4-12(28(31)32)8-15(13)24/h4-5,8-10,14,18,29-30H,6-7,11H2,1-3H3,(H,25,26)
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9.85E+3n/an/an/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50324034
PNG
(2-[5-(2-Chloro-phenyl)-1H-pyrazol-3-yl]-6-(2-hydro...)
Show SMILES COc1cc(OC)c(-c2cc(n[nH]2)-c2ccccc2Cl)c(O)c1C1CCN(C)C1CO
Show InChI InChI=1S/C23H26ClN3O4/c1-27-9-8-14(18(27)12-28)21-19(30-2)11-20(31-3)22(23(21)29)17-10-16(25-26-17)13-6-4-5-7-15(13)24/h4-7,10-11,14,18,28-29H,8-9,12H2,1-3H3,(H,25,26)
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1.06E+4n/an/an/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50324037
PNG
(2-[5-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-6-(2-hydro...)
Show SMILES COc1cc(OC)c(-c2cc(n[nH]2)-c2ccc(F)cc2)c(O)c1C1CCN(C)C1CO
Show InChI InChI=1S/C23H26FN3O4/c1-27-9-8-15(18(27)12-28)21-19(30-2)11-20(31-3)22(23(21)29)17-10-16(25-26-17)13-4-6-14(24)7-5-13/h4-7,10-11,15,18,28-29H,8-9,12H2,1-3H3,(H,25,26)
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1.12E+4n/an/an/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50324034
PNG
(2-[5-(2-Chloro-phenyl)-1H-pyrazol-3-yl]-6-(2-hydro...)
Show SMILES COc1cc(OC)c(-c2cc(n[nH]2)-c2ccccc2Cl)c(O)c1C1CCN(C)C1CO
Show InChI InChI=1S/C23H26ClN3O4/c1-27-9-8-14(18(27)12-28)21-19(30-2)11-20(31-3)22(23(21)29)17-10-16(25-26-17)13-6-4-5-7-15(13)24/h4-7,10-11,14,18,28-29H,8-9,12H2,1-3H3,(H,25,26)
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1.18E+4n/an/an/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase assessed as oxidation of L-DOPA


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50324037
PNG
(2-[5-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-6-(2-hydro...)
Show SMILES COc1cc(OC)c(-c2cc(n[nH]2)-c2ccc(F)cc2)c(O)c1C1CCN(C)C1CO
Show InChI InChI=1S/C23H26FN3O4/c1-27-9-8-15(18(27)12-28)21-19(30-2)11-20(31-3)22(23(21)29)17-10-16(25-26-17)13-4-6-14(24)7-5-13/h4-7,10-11,15,18,28-29H,8-9,12H2,1-3H3,(H,25,26)
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1.26E+4n/an/an/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase assessed as oxidation of L-DOPA


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50324035
PNG
(2-[5-(2-Chloro-4-nitro-phenyl)-1H-pyrazol-3-yl]-6-...)
Show SMILES COc1cc(OC)c(-c2cc(n[nH]2)-c2ccc(cc2Cl)[N+]([O-])=O)c(O)c1C1CCN(C)C1CO
Show InChI InChI=1S/C23H25ClN4O6/c1-27-7-6-14(18(27)11-29)21-19(33-2)10-20(34-3)22(23(21)30)17-9-16(25-26-17)13-5-4-12(28(31)32)8-15(13)24/h4-5,8-10,14,18,29-30H,6-7,11H2,1-3H3,(H,25,26)
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1.46E+4n/an/an/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase assessed as oxidation of L-DOPA


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
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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1.49E+4n/an/an/an/an/an/an/an/a



Bahirji Smarak Mahavidyalaya

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase diphenolase activity assessed as L-DOPA conversion to dopachrome by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 2772-7 (2013)


Article DOI: 10.1016/j.bmc.2012.12.053
BindingDB Entry DOI: 10.7270/Q2G44T6G
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50491386
PNG
(CHEMBL2380491)
Show SMILES COc1ccc(NC2=NC(=O)\C(S2)=C\c2cn(nc2-c2ccc(Cl)cc2Cl)-c2ccccc2)c(OC)c1 |t:7|
Show InChI InChI=1S/C27H20Cl2N4O3S/c1-35-19-9-11-22(23(14-19)36-2)30-27-31-26(34)24(37-27)12-16-15-33(18-6-4-3-5-7-18)32-25(16)20-10-8-17(28)13-21(20)29/h3-15H,1-2H3,(H,30,31,34)/b24-12-
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1.69E+4n/an/an/an/an/an/an/an/a



Bahirji Smarak Mahavidyalaya

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase diphenolase activity assessed as L-DOPA conversion to dopachrome by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 2772-7 (2013)


Article DOI: 10.1016/j.bmc.2012.12.053
BindingDB Entry DOI: 10.7270/Q2G44T6G
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50491380
PNG
(CHEMBL2380380)
Show SMILES COc1ccc(NC2=NC(=O)\C(S2)=C\c2cn(nc2-c2cccc(Cl)c2)-c2ccccc2)c(OC)c1 |t:7|
Show InChI InChI=1S/C27H21ClN4O3S/c1-34-21-11-12-22(23(15-21)35-2)29-27-30-26(33)24(36-27)14-18-16-32(20-9-4-3-5-10-20)31-25(18)17-7-6-8-19(28)13-17/h3-16H,1-2H3,(H,29,30,33)/b24-14-
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2.15E+4n/an/an/an/an/an/an/an/a



Bahirji Smarak Mahavidyalaya

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase diphenolase activity assessed as L-DOPA conversion to dopachrome by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 2772-7 (2013)


Article DOI: 10.1016/j.bmc.2012.12.053
BindingDB Entry DOI: 10.7270/Q2G44T6G
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50491383
PNG
(CHEMBL2380490)
Show SMILES COc1ccc(NC2=NC(=O)\C(S2)=C\c2cn(nc2-c2ccccc2Cl)-c2ccccc2)c(OC)c1 |t:7|
Show InChI InChI=1S/C27H21ClN4O3S/c1-34-19-12-13-22(23(15-19)35-2)29-27-30-26(33)24(36-27)14-17-16-32(18-8-4-3-5-9-18)31-25(17)20-10-6-7-11-21(20)28/h3-16H,1-2H3,(H,29,30,33)/b24-14-
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2.91E+4n/an/an/an/an/an/an/an/a



Bahirji Smarak Mahavidyalaya

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase diphenolase activity assessed as L-DOPA conversion to dopachrome by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 2772-7 (2013)


Article DOI: 10.1016/j.bmc.2012.12.053
BindingDB Entry DOI: 10.7270/Q2G44T6G
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50324036
PNG
(2-[5-(2,4-Dimethoxy-phenyl)-1H-pyrazol-3-yl]-6-(2-...)
Show SMILES COc1ccc(-c2cc([nH]n2)-c2c(OC)cc(OC)c(C3CCN(C)C3CO)c2O)c(OC)c1
Show InChI InChI=1S/C25H31N3O6/c1-28-9-8-16(19(28)13-29)23-21(33-4)12-22(34-5)24(25(23)30)18-11-17(26-27-18)15-7-6-14(31-2)10-20(15)32-3/h6-7,10-12,16,19,29-30H,8-9,13H2,1-5H3,(H,26,27)
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n/an/a 1.75E+3n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50324036
PNG
(2-[5-(2,4-Dimethoxy-phenyl)-1H-pyrazol-3-yl]-6-(2-...)
Show SMILES COc1ccc(-c2cc([nH]n2)-c2c(OC)cc(OC)c(C3CCN(C)C3CO)c2O)c(OC)c1
Show InChI InChI=1S/C25H31N3O6/c1-28-9-8-16(19(28)13-29)23-21(33-4)12-22(34-5)24(25(23)30)18-11-17(26-27-18)15-7-6-14(31-2)10-20(15)32-3/h6-7,10-12,16,19,29-30H,8-9,13H2,1-5H3,(H,26,27)
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n/an/a 2.84E+3n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase assessed as oxidation of L-DOPA


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50324037
PNG
(2-[5-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-6-(2-hydro...)
Show SMILES COc1cc(OC)c(-c2cc(n[nH]2)-c2ccc(F)cc2)c(O)c1C1CCN(C)C1CO
Show InChI InChI=1S/C23H26FN3O4/c1-27-9-8-15(18(27)12-28)21-19(30-2)11-20(31-3)22(23(21)29)17-10-16(25-26-17)13-4-6-14(24)7-5-13/h4-7,10-11,15,18,28-29H,8-9,12H2,1-3H3,(H,25,26)
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n/an/a 1.55E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50324035
PNG
(2-[5-(2-Chloro-4-nitro-phenyl)-1H-pyrazol-3-yl]-6-...)
Show SMILES COc1cc(OC)c(-c2cc(n[nH]2)-c2ccc(cc2Cl)[N+]([O-])=O)c(O)c1C1CCN(C)C1CO
Show InChI InChI=1S/C23H25ClN4O6/c1-27-7-6-14(18(27)11-29)21-19(33-2)10-20(34-3)22(23(21)30)17-9-16(25-26-17)13-5-4-12(28(31)32)8-15(13)24/h4-5,8-10,14,18,29-30H,6-7,11H2,1-3H3,(H,25,26)
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n/an/a 1.78E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50324037
PNG
(2-[5-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-6-(2-hydro...)
Show SMILES COc1cc(OC)c(-c2cc(n[nH]2)-c2ccc(F)cc2)c(O)c1C1CCN(C)C1CO
Show InChI InChI=1S/C23H26FN3O4/c1-27-9-8-15(18(27)12-28)21-19(30-2)11-20(31-3)22(23(21)29)17-10-16(25-26-17)13-4-6-14(24)7-5-13/h4-7,10-11,15,18,28-29H,8-9,12H2,1-3H3,(H,25,26)
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n/an/a 1.96E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase assessed as oxidation of L-DOPA


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50324035
PNG
(2-[5-(2-Chloro-4-nitro-phenyl)-1H-pyrazol-3-yl]-6-...)
Show SMILES COc1cc(OC)c(-c2cc(n[nH]2)-c2ccc(cc2Cl)[N+]([O-])=O)c(O)c1C1CCN(C)C1CO
Show InChI InChI=1S/C23H25ClN4O6/c1-27-7-6-14(18(27)11-29)21-19(33-2)10-20(34-3)22(23(21)30)17-9-16(25-26-17)13-5-4-12(28(31)32)8-15(13)24/h4-5,8-10,14,18,29-30H,6-7,11H2,1-3H3,(H,25,26)
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n/an/a 2.15E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase assessed as oxidation of L-DOPA


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
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 2.25E+4n/an/an/an/an/an/a



Bahirji Smarak Mahavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins by spectrophotometric analysis


Bioorg Med Chem 21: 2772-7 (2013)


Article DOI: 10.1016/j.bmc.2012.12.053
BindingDB Entry DOI: 10.7270/Q2G44T6G
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50324034
PNG
(2-[5-(2-Chloro-phenyl)-1H-pyrazol-3-yl]-6-(2-hydro...)
Show SMILES COc1cc(OC)c(-c2cc(n[nH]2)-c2ccccc2Cl)c(O)c1C1CCN(C)C1CO
Show InChI InChI=1S/C23H26ClN3O4/c1-27-9-8-14(18(27)12-28)21-19(30-2)11-20(31-3)22(23(21)29)17-10-16(25-26-17)13-6-4-5-7-15(13)24/h4-7,10-11,14,18,28-29H,8-9,12H2,1-3H3,(H,25,26)
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n/an/a 2.28E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50324034
PNG
(2-[5-(2-Chloro-phenyl)-1H-pyrazol-3-yl]-6-(2-hydro...)
Show SMILES COc1cc(OC)c(-c2cc(n[nH]2)-c2ccccc2Cl)c(O)c1C1CCN(C)C1CO
Show InChI InChI=1S/C23H26ClN3O4/c1-27-9-8-14(18(27)12-28)21-19(30-2)11-20(31-3)22(23(21)29)17-10-16(25-26-17)13-6-4-5-7-15(13)24/h4-7,10-11,14,18,28-29H,8-9,12H2,1-3H3,(H,25,26)
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n/an/a 2.94E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase assessed as oxidation of L-DOPA


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50491383
PNG
(CHEMBL2380490)
Show SMILES COc1ccc(NC2=NC(=O)\C(S2)=C\c2cn(nc2-c2ccccc2Cl)-c2ccccc2)c(OC)c1 |t:7|
Show InChI InChI=1S/C27H21ClN4O3S/c1-34-19-12-13-22(23(15-19)35-2)29-27-30-26(33)24(36-27)14-17-16-32(18-8-4-3-5-9-18)31-25(17)20-10-6-7-11-21(20)28/h3-16H,1-2H3,(H,29,30,33)/b24-14-
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n/an/a 3.41E+4n/an/an/an/an/an/a



Bahirji Smarak Mahavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins by spectrophotometric analysis


Bioorg Med Chem 21: 2772-7 (2013)


Article DOI: 10.1016/j.bmc.2012.12.053
BindingDB Entry DOI: 10.7270/Q2G44T6G
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50491380
PNG
(CHEMBL2380380)
Show SMILES COc1ccc(NC2=NC(=O)\C(S2)=C\c2cn(nc2-c2cccc(Cl)c2)-c2ccccc2)c(OC)c1 |t:7|
Show InChI InChI=1S/C27H21ClN4O3S/c1-34-21-11-12-22(23(15-21)35-2)29-27-30-26(33)24(36-27)14-18-16-32(20-9-4-3-5-10-20)31-25(18)17-7-6-8-19(28)13-17/h3-16H,1-2H3,(H,29,30,33)/b24-14-
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n/an/a 5.26E+4n/an/an/an/an/an/a



Bahirji Smarak Mahavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins by spectrophotometric analysis


Bioorg Med Chem 21: 2772-7 (2013)


Article DOI: 10.1016/j.bmc.2012.12.053
BindingDB Entry DOI: 10.7270/Q2G44T6G
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50491384
PNG
(CHEMBL2380377)
Show SMILES COc1ccc(NC2=NC(=O)\C(S2)=C\c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)c(OC)c1 |t:7|
Show InChI InChI=1S/C27H21ClN4O3S/c1-34-21-12-13-22(23(15-21)35-2)29-27-30-26(33)24(36-27)14-18-16-32(20-6-4-3-5-7-20)31-25(18)17-8-10-19(28)11-9-17/h3-16H,1-2H3,(H,29,30,33)/b24-14-
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n/an/a 7.40E+4n/an/an/an/an/an/a



Bahirji Smarak Mahavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins by spectrophotometric analysis


Bioorg Med Chem 21: 2772-7 (2013)


Article DOI: 10.1016/j.bmc.2012.12.053
BindingDB Entry DOI: 10.7270/Q2G44T6G
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50491386
PNG
(CHEMBL2380491)
Show SMILES COc1ccc(NC2=NC(=O)\C(S2)=C\c2cn(nc2-c2ccc(Cl)cc2Cl)-c2ccccc2)c(OC)c1 |t:7|
Show InChI InChI=1S/C27H20Cl2N4O3S/c1-35-19-9-11-22(23(14-19)36-2)30-27-31-26(34)24(37-27)12-16-15-33(18-6-4-3-5-7-18)32-25(16)20-10-8-17(28)13-21(20)29/h3-15H,1-2H3,(H,30,31,34)/b24-12-
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n/an/a 8.17E+4n/an/an/an/an/an/a



Bahirji Smarak Mahavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins by spectrophotometric analysis


Bioorg Med Chem 21: 2772-7 (2013)


Article DOI: 10.1016/j.bmc.2012.12.053
BindingDB Entry DOI: 10.7270/Q2G44T6G
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50491381
PNG
(CHEMBL2380379)
Show SMILES COc1ccc(NC2=NC(=O)\C(S2)=C\c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)c(OC)c1 |t:7|
Show InChI InChI=1S/C27H21FN4O3S/c1-34-21-12-13-22(23(15-21)35-2)29-27-30-26(33)24(36-27)14-18-16-32(20-6-4-3-5-7-20)31-25(18)17-8-10-19(28)11-9-17/h3-16H,1-2H3,(H,29,30,33)/b24-14-
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n/an/a 1.04E+5n/an/an/an/an/an/a



Bahirji Smarak Mahavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins by spectrophotometric analysis


Bioorg Med Chem 21: 2772-7 (2013)


Article DOI: 10.1016/j.bmc.2012.12.053
BindingDB Entry DOI: 10.7270/Q2G44T6G
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50491379
PNG
(CHEMBL2380376)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=C1/SC(Nc2ccc(OC)cc2OC)=NC1=O)-c1ccccc1 |c:30|
Show InChI InChI=1S/C28H24N4O4S/c1-34-21-11-9-18(10-12-21)26-19(17-32(31-26)20-7-5-4-6-8-20)15-25-27(33)30-28(37-25)29-23-14-13-22(35-2)16-24(23)36-3/h4-17H,1-3H3,(H,29,30,33)/b25-15-
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n/an/a 1.14E+5n/an/an/an/an/an/a



Bahirji Smarak Mahavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins by spectrophotometric analysis


Bioorg Med Chem 21: 2772-7 (2013)


Article DOI: 10.1016/j.bmc.2012.12.053
BindingDB Entry DOI: 10.7270/Q2G44T6G
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50491382
PNG
(CHEMBL2380378)
Show SMILES COc1ccc(NC2=NC(=O)\C(S2)=C\c2cn(nc2-c2ccc(Br)cc2)-c2ccccc2)c(OC)c1 |t:7|
Show InChI InChI=1S/C27H21BrN4O3S/c1-34-21-12-13-22(23(15-21)35-2)29-27-30-26(33)24(36-27)14-18-16-32(20-6-4-3-5-7-20)31-25(18)17-8-10-19(28)11-9-17/h3-16H,1-2H3,(H,29,30,33)/b24-14-
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n/an/a 1.31E+5n/an/an/an/an/an/a



Bahirji Smarak Mahavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins by spectrophotometric analysis


Bioorg Med Chem 21: 2772-7 (2013)


Article DOI: 10.1016/j.bmc.2012.12.053
BindingDB Entry DOI: 10.7270/Q2G44T6G
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50491385
PNG
(CHEMBL2380375)
Show SMILES COc1ccc(NC2=NC(=O)\C(S2)=C\c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)c(OC)c1 |t:7|
Show InChI InChI=1S/C28H24N4O3S/c1-18-9-11-19(12-10-18)26-20(17-32(31-26)21-7-5-4-6-8-21)15-25-27(33)30-28(36-25)29-23-14-13-22(34-2)16-24(23)35-3/h4-17H,1-3H3,(H,29,30,33)/b25-15-
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n/an/a 1.94E+5n/an/an/an/an/an/a



Bahirji Smarak Mahavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins by spectrophotometric analysis


Bioorg Med Chem 21: 2772-7 (2013)


Article DOI: 10.1016/j.bmc.2012.12.053
BindingDB Entry DOI: 10.7270/Q2G44T6G
More data for this
Ligand-Target Pair