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Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'bandgar' and Initial = 'bp'   
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))
BDBM50421142
PNG
(CHEMBL2088592)
Show SMILES Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4ccccc4)c3)ccc12
Show InChI InChI=1S/C29H22N2O2/c1-31-26-13-6-5-12-24(26)25-18-20(14-16-27(25)31)15-17-28(32)22-10-7-11-23(19-22)30-29(33)21-8-3-2-4-9-21/h2-19H,1H3,(H,30,33)/b17-15+
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1.18E+4n/an/an/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase using L-DOPA as substrate after 5 mins by Lineweaver-Burk plot analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
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
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50421157
PNG
(CHEMBL2088608)
Show SMILES Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)C4CC4)c3)ccc12
Show InChI InChI=1S/C26H22N2O2/c1-28-23-8-3-2-7-21(23)22-15-17(9-13-24(22)28)10-14-25(29)19-5-4-6-20(16-19)27-26(30)18-11-12-18/h2-10,13-16,18H,11-12H2,1H3,(H,27,30)/b14-10+
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n/an/a 4.30E+3n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XO assessed as decrease in uric acid formation after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50421144
PNG
(CHEMBL2088594)
Show SMILES Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4cccc(Cl)c4)c3)ccc12
Show InChI InChI=1S/C29H21ClN2O2/c1-32-26-11-3-2-10-24(26)25-16-19(12-14-27(25)32)13-15-28(33)20-6-5-9-23(18-20)31-29(34)21-7-4-8-22(30)17-21/h2-18H,1H3,(H,31,34)/b15-13+
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n/an/a 4.40E+3n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XO assessed as decrease in uric acid formation after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50421147
PNG
(CHEMBL2088597)
Show SMILES Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4cccc(F)c4)c3)ccc12
Show InChI InChI=1S/C29H21FN2O2/c1-32-26-11-3-2-10-24(26)25-16-19(12-14-27(25)32)13-15-28(33)20-6-5-9-23(18-20)31-29(34)21-7-4-8-22(30)17-21/h2-18H,1H3,(H,31,34)/b15-13+
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n/an/a 4.50E+3n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XO assessed as decrease in uric acid formation after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50421153
PNG
(CHEMBL2088604)
Show SMILES Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4cccc(c4)C(F)(F)F)c3)ccc12
Show InChI InChI=1S/C30H21F3N2O2/c1-35-26-11-3-2-10-24(26)25-16-19(12-14-27(25)35)13-15-28(36)20-6-5-9-23(18-20)34-29(37)21-7-4-8-22(17-21)30(31,32)33/h2-18H,1H3,(H,34,37)/b15-13+
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n/an/a 5.10E+3n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XO assessed as decrease in uric acid formation after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50421156
PNG
(CHEMBL2088607)
Show SMILES Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)\C=C\c4ccccc4)c3)ccc12
Show InChI InChI=1S/C31H24N2O2/c1-33-28-13-6-5-12-26(28)27-20-23(14-17-29(27)33)15-18-30(34)24-10-7-11-25(21-24)32-31(35)19-16-22-8-3-2-4-9-22/h2-21H,1H3,(H,32,35)/b18-15+,19-16+
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n/an/a 5.10E+3n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XO assessed as decrease in uric acid formation after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50421151
PNG
(CHEMBL2088602)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc2n(C)c3ccccc3c2c1
Show InChI InChI=1S/C30H24N2O2/c1-20-10-14-22(15-11-20)30(34)31-24-7-5-6-23(19-24)29(33)17-13-21-12-16-28-26(18-21)25-8-3-4-9-27(25)32(28)2/h3-19H,1-2H3,(H,31,34)/b17-13+
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n/an/a 5.30E+3n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XO assessed as decrease in uric acid formation after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50421145
PNG
(CHEMBL2088595)
Show SMILES Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4ccc(Cl)cc4)c3)ccc12
Show InChI InChI=1S/C29H21ClN2O2/c1-32-26-8-3-2-7-24(26)25-17-19(9-15-27(25)32)10-16-28(33)21-5-4-6-23(18-21)31-29(34)20-11-13-22(30)14-12-20/h2-18H,1H3,(H,31,34)/b16-10+
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n/an/a 5.60E+3n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XO assessed as decrease in uric acid formation after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM35440
PNG
(ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...)
Show SMILES O=c1[nH]cnc2n[nH]cc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XO assessed as decrease in uric acid formation after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50421142
PNG
(CHEMBL2088592)
Show SMILES Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4ccccc4)c3)ccc12
Show InChI InChI=1S/C29H22N2O2/c1-31-26-13-6-5-12-24(26)25-18-20(14-16-27(25)31)15-17-28(32)22-10-7-11-23(19-22)30-29(33)21-8-3-2-4-9-21/h2-19H,1H3,(H,30,33)/b17-15+
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n/an/a 1.40E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50421148
PNG
(CHEMBL2088598)
Show SMILES Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)ccc12
Show InChI InChI=1S/C29H21FN2O2/c1-32-26-8-3-2-7-24(26)25-17-19(9-15-27(25)32)10-16-28(33)21-5-4-6-23(18-21)31-29(34)20-11-13-22(30)14-12-20/h2-18H,1H3,(H,31,34)/b16-10+
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n/an/a 1.51E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50421145
PNG
(CHEMBL2088595)
Show SMILES Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4ccc(Cl)cc4)c3)ccc12
Show InChI InChI=1S/C29H21ClN2O2/c1-32-26-8-3-2-7-24(26)25-17-19(9-15-27(25)32)10-16-28(33)21-5-4-6-23(18-21)31-29(34)20-11-13-22(30)14-12-20/h2-18H,1H3,(H,31,34)/b16-10+
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n/an/a 1.52E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50421142
PNG
(CHEMBL2088592)
Show SMILES Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4ccccc4)c3)ccc12
Show InChI InChI=1S/C29H22N2O2/c1-31-26-13-6-5-12-24(26)25-18-20(14-16-27(25)31)15-17-28(32)22-10-7-11-23(19-22)30-29(33)21-8-3-2-4-9-21/h2-19H,1H3,(H,30,33)/b17-15+
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n/an/a 1.52E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50421151
PNG
(CHEMBL2088602)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc2n(C)c3ccccc3c2c1
Show InChI InChI=1S/C30H24N2O2/c1-20-10-14-22(15-11-20)30(34)31-24-7-5-6-23(19-24)29(33)17-13-21-12-16-28-26(18-21)25-8-3-4-9-27(25)32(28)2/h3-19H,1-2H3,(H,31,34)/b17-13+
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n/an/a 1.52E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50421151
PNG
(CHEMBL2088602)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc2n(C)c3ccccc3c2c1
Show InChI InChI=1S/C30H24N2O2/c1-20-10-14-22(15-11-20)30(34)31-24-7-5-6-23(19-24)29(33)17-13-21-12-16-28-26(18-21)25-8-3-4-9-27(25)32(28)2/h3-19H,1-2H3,(H,31,34)/b17-13+
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n/an/a 1.52E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50421146
PNG
(CHEMBL2088596)
Show SMILES Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4ccccc4F)c3)ccc12
Show InChI InChI=1S/C29H21FN2O2/c1-32-26-12-5-3-9-22(26)24-17-19(13-15-27(24)32)14-16-28(33)20-7-6-8-21(18-20)31-29(34)23-10-2-4-11-25(23)30/h2-18H,1H3,(H,31,34)/b16-14+
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n/an/a 1.52E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
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 1.54E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
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))
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 1.62E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50421148
PNG
(CHEMBL2088598)
Show SMILES Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)ccc12
Show InChI InChI=1S/C29H21FN2O2/c1-32-26-8-3-2-7-24(26)25-17-19(9-15-27(25)32)10-16-28(33)21-5-4-6-23(18-21)31-29(34)20-11-13-22(30)14-12-20/h2-18H,1H3,(H,31,34)/b16-10+
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n/an/a 1.65E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50421145
PNG
(CHEMBL2088595)
Show SMILES Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4ccc(Cl)cc4)c3)ccc12
Show InChI InChI=1S/C29H21ClN2O2/c1-32-26-8-3-2-7-24(26)25-17-19(9-15-27(25)32)10-16-28(33)21-5-4-6-23(18-21)31-29(34)20-11-13-22(30)14-12-20/h2-18H,1H3,(H,31,34)/b16-10+
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n/an/a 1.75E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
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))
BDBM50421146
PNG
(CHEMBL2088596)
Show SMILES Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4ccccc4F)c3)ccc12
Show InChI InChI=1S/C29H21FN2O2/c1-32-26-12-5-3-9-22(26)24-17-19(13-15-27(24)32)14-16-28(33)20-7-6-8-21(18-20)31-29(34)23-10-2-4-11-25(23)30/h2-18H,1H3,(H,31,34)/b16-14+
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n/an/a 1.83E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246477
PNG
(4-(2,4-Dichlorophenyl)-6-(9-methyl-9H-carbazol-3-y...)
Show SMILES Cn1c2ccccc2c2cc(ccc12)-c1cc(nc(N)n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H16Cl2N4/c1-29-21-5-3-2-4-15(21)17-10-13(6-9-22(17)29)19-12-20(28-23(26)27-19)16-8-7-14(24)11-18(16)25/h2-12H,1H3,(H2,26,27,28)
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n/an/a 1.94E+4n/an/an/an/a6.830



Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
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
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50421150
PNG
(CHEMBL2088601)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc2n(C)c3ccccc3c2c1
Show InChI InChI=1S/C30H24N2O2/c1-20-7-5-9-23(17-20)30(34)31-24-10-6-8-22(19-24)29(33)16-14-21-13-15-28-26(18-21)25-11-3-4-12-27(25)32(28)2/h3-19H,1-2H3,(H,31,34)/b16-14+
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n/an/a 2.07E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XO assessed as decrease in uric acid formation after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50229993
PNG
(2-thiourea | CHEMBL260876 | Thiocarbamid | Thiohar...)
Show SMILES NC(N)=S
Show InChI InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
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n/an/a 2.10E+4n/an/an/an/a6.830



Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
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
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246478
PNG
(4-(3,4-Dichlorophenyl)-6-(9-methyl-9H-carbazol-3-y...)
Show SMILES Cn1c2ccccc2c2cc(ccc12)-c1cc(nc(N)n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H16Cl2N4/c1-29-21-5-3-2-4-15(21)16-10-13(7-9-22(16)29)19-12-20(28-23(26)27-19)14-6-8-17(24)18(25)11-14/h2-12H,1H3,(H2,26,27,28)
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n/an/a 2.32E+4n/an/an/an/a6.830



Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50421148
PNG
(CHEMBL2088598)
Show SMILES Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)ccc12
Show InChI InChI=1S/C29H21FN2O2/c1-32-26-8-3-2-7-24(26)25-17-19(9-15-27(25)32)10-16-28(33)21-5-4-6-23(18-21)31-29(34)20-11-13-22(30)14-12-20/h2-18H,1H3,(H,31,34)/b16-10+
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n/an/a 2.58E+4n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XO assessed as decrease in uric acid formation after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246479
PNG
(4-(2,5-Dichlorophenyl)-6-(9-methyl-9H-carbazol-3-y...)
Show SMILES Cn1c2ccccc2c2cc(ccc12)-c1cc(nc(N)n1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C23H16Cl2N4/c1-29-21-5-3-2-4-15(21)16-10-13(6-9-22(16)29)19-12-20(28-23(26)27-19)17-11-14(24)7-8-18(17)25/h2-12H,1H3,(H2,26,27,28)
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n/an/a 2.81E+4n/an/an/an/a6.830



Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
More data for this
Ligand-Target Pair
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