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Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'rafiq' and Initial = 'm'   
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))
BDBM50511058
PNG
(CHEMBL4453514)
Show SMILES COc1cccc(OC(=O)COC(=O)\C=C\c2ccc(O)cc2)c1
Show InChI InChI=1S/C18H16O6/c1-22-15-3-2-4-16(11-15)24-18(21)12-23-17(20)10-7-13-5-8-14(19)9-6-13/h2-11,19H,12H2,1H3/b10-7+
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1.10E+4n/an/an/an/an/an/an/an/a



The University of Queensland (UQ)

Curated by ChEMBL


Assay Description
Non-competitive inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition and further incub...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126722
BindingDB Entry DOI: 10.7270/Q29S1VBJ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50108112
PNG
(CHEMBL3601648)
Show SMILES COc1cc(C=O)ccc1OC(=O)COC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C19H16O7/c1-24-17-10-14(11-20)4-8-16(17)26-19(23)12-25-18(22)9-5-13-2-6-15(21)7-3-13/h2-11,21H,12H2,1H3/b9-5+
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1.30E+4n/an/an/an/an/an/an/an/a



Kongju National University

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-inhibitor dissociation constant preincubated for 10 mins f...


Bioorg Med Chem 23: 5870-80 (2015)


Article DOI: 10.1016/j.bmc.2015.06.068
BindingDB Entry DOI: 10.7270/Q20P11SM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50108113
PNG
(CHEMBL3601649)
Show SMILES COc1cc(C=O)ccc1OC(=O)COC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClO6/c1-24-17-10-14(11-21)4-8-16(17)26-19(23)12-25-18(22)9-5-13-2-6-15(20)7-3-13/h2-11H,12H2,1H3/b9-5+
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4.10E+4n/an/an/an/an/an/an/an/a



Kongju National University

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-inhibitor dissociation constant preincubated for 10 mins f...


Bioorg Med Chem 23: 5870-80 (2015)


Article DOI: 10.1016/j.bmc.2015.06.068
BindingDB Entry DOI: 10.7270/Q20P11SM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50108112
PNG
(CHEMBL3601648)
Show SMILES COc1cc(C=O)ccc1OC(=O)COC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C19H16O7/c1-24-17-10-14(11-20)4-8-16(17)26-19(23)12-25-18(22)9-5-13-2-6-15(21)7-3-13/h2-11,21H,12H2,1H3/b9-5+
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5.30E+4n/an/an/an/an/an/an/an/a



Kongju National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-substrate-inhibitor dissociation constant preincubated...


Bioorg Med Chem 23: 5870-80 (2015)


Article DOI: 10.1016/j.bmc.2015.06.068
BindingDB Entry DOI: 10.7270/Q20P11SM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50108114
PNG
(CHEMBL3601650)
Show SMILES COc1cc(C=O)ccc1OC(=O)CN1CCN(C)CC1
Show InChI InChI=1S/C15H20N2O4/c1-16-5-7-17(8-6-16)10-15(19)21-13-4-3-12(11-18)9-14(13)20-2/h3-4,9,11H,5-8,10H2,1-2H3
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6.00E+4n/an/an/an/an/an/an/an/a



Kongju National University

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-inhibitor dissociation constant preincubated for 10 mins f...


Bioorg Med Chem 23: 5870-80 (2015)


Article DOI: 10.1016/j.bmc.2015.06.068
BindingDB Entry DOI: 10.7270/Q20P11SM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50108109
PNG
(CHEMBL3601645)
Show SMILES COc1cc(C=O)ccc1OC(=O)COC(=O)c1ccc(O)cc1O
Show InChI InChI=1S/C17H14O8/c1-23-15-6-10(8-18)2-5-14(15)25-16(21)9-24-17(22)12-4-3-11(19)7-13(12)20/h2-8,19-20H,9H2,1H3
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6.50E+4n/an/an/an/an/an/an/an/a



Kongju National University

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-inhibitor dissociation constant preincubated for 10 mins f...


Bioorg Med Chem 23: 5870-80 (2015)


Article DOI: 10.1016/j.bmc.2015.06.068
BindingDB Entry DOI: 10.7270/Q20P11SM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50108113
PNG
(CHEMBL3601649)
Show SMILES COc1cc(C=O)ccc1OC(=O)COC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClO6/c1-24-17-10-14(11-21)4-8-16(17)26-19(23)12-25-18(22)9-5-13-2-6-15(20)7-3-13/h2-11H,12H2,1H3/b9-5+
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1.00E+5n/an/an/an/an/an/an/an/a



Kongju National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-substrate-inhibitor dissociation constant preincubated...


Bioorg Med Chem 23: 5870-80 (2015)


Article DOI: 10.1016/j.bmc.2015.06.068
BindingDB Entry DOI: 10.7270/Q20P11SM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50511056
PNG
(CHEMBL4578912)
Show SMILES COc1cccc(OC(=O)COC(=O)c2ccc(O)cc2O)c1
Show InChI InChI=1S/C16H14O7/c1-21-11-3-2-4-12(8-11)23-15(19)9-22-16(20)13-6-5-10(17)7-14(13)18/h2-8,17-18H,9H2,1H3
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1.30E+5n/an/an/an/an/an/an/an/a



The University of Queensland (UQ)

Curated by ChEMBL


Assay Description
Non-competitive inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition and further incub...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126722
BindingDB Entry DOI: 10.7270/Q29S1VBJ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50108109
PNG
(CHEMBL3601645)
Show SMILES COc1cc(C=O)ccc1OC(=O)COC(=O)c1ccc(O)cc1O
Show InChI InChI=1S/C17H14O8/c1-23-15-6-10(8-18)2-5-14(15)25-16(21)9-24-17(22)12-4-3-11(19)7-13(12)20/h2-8,19-20H,9H2,1H3
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2.05E+5n/an/an/an/an/an/an/an/a



Kongju National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-substrate-inhibitor dissociation constant preincubated...


Bioorg Med Chem 23: 5870-80 (2015)


Article DOI: 10.1016/j.bmc.2015.06.068
BindingDB Entry DOI: 10.7270/Q20P11SM
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM178021
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES Cc1cs\c(=N/C(=O)c2ccc(cc2Cl)[N+]([O-])=O)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H13ClN4O5S2/c1-10-9-28-17(21(10)11-2-5-13(6-3-11)29(19,26)27)20-16(23)14-7-4-12(22(24)25)8-15(14)18/h2-9H,1H3,(H2,19,26,27)/b20-17-
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n/an/a 58n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...


Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM178020
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES Cc1cs\c(=N/C(=O)c2cccc(F)c2)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14FN3O3S2/c1-11-10-25-17(20-16(22)12-3-2-4-13(18)9-12)21(11)14-5-7-15(8-6-14)26(19,23)24/h2-10H,1H3,(H2,19,23,24)/b20-17-
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n/an/a 64n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...


Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM178016
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES Cc1cs\c(=N/C(=O)c2ccc(C)cc2)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N3O3S2/c1-12-3-5-14(6-4-12)17(22)20-18-21(13(2)11-25-18)15-7-9-16(10-8-15)26(19,23)24/h3-11H,1-2H3,(H2,19,23,24)/b20-18-
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n/an/a 72n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...


Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM178019
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES COc1cccc(c1)C(=O)\N=c1/scc(C)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N3O4S2/c1-12-11-26-18(20-17(22)13-4-3-5-15(10-13)25-2)21(12)14-6-8-16(9-7-14)27(19,23)24/h3-11H,1-2H3,(H2,19,23,24)/b20-18-
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n/an/a 81n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...


Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM178022
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES Cc1cs\c(=N/C(=O)c2ccco2)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H13N3O4S2/c1-10-9-23-15(17-14(19)13-3-2-8-22-13)18(10)11-4-6-12(7-5-11)24(16,20)21/h2-9H,1H3,(H2,16,20,21)/b17-15-
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n/an/a 83n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...


Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM178017
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES Cc1cs\c(=N/C(=O)c2ccc(cc2)[N+]([O-])=O)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O5S2/c1-11-10-27-17(19-16(22)12-2-4-14(5-3-12)21(23)24)20(11)13-6-8-15(9-7-13)28(18,25)26/h2-10H,1H3,(H2,18,25,26)/b19-17-
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n/an/a 83n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...


Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM178015
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES Cc1cs\c(=N/C(=O)c2cccc(C)c2)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N3O3S2/c1-12-4-3-5-14(10-12)17(22)20-18-21(13(2)11-25-18)15-6-8-16(9-7-15)26(19,23)24/h3-11H,1-2H3,(H2,19,23,24)/b20-18-
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n/an/a 87n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...


Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM178014
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES Cc1cs\c(=N/C(=O)c2ccccc2C)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N3O3S2/c1-12-5-3-4-6-16(12)17(22)20-18-21(13(2)11-25-18)14-7-9-15(10-8-14)26(19,23)24/h3-11H,1-2H3,(H2,19,23,24)/b20-18-
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n/an/a 87n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...


Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM178013
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES Cc1cs\c(=N/C(=O)c2ccccc2)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H15N3O3S2/c1-12-11-24-17(19-16(21)13-5-3-2-4-6-13)20(12)14-7-9-15(10-8-14)25(18,22)23/h2-11H,1H3,(H2,18,22,23)/b19-17-
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n/an/a 96n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...


Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM178018
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES Cc1cs\c(=N/C(=O)c2ccccc2[N+]([O-])=O)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O5S2/c1-11-10-27-17(19-16(22)14-4-2-3-5-15(14)21(23)24)20(11)12-6-8-13(9-7-12)28(18,25)26/h2-10H,1H3,(H2,18,25,26)/b19-17-
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n/an/a 350n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...


Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50139369
PNG
(2-Hydroxy-4-isopropyl-benzaldehyde | CHEMBL353354)
Show SMILES CC(C)c1ccc(C=O)c(O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-3-4-9(6-11)10(12)5-8/h3-7,12H,1-2H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Kongju National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate by spectrophotometric analysis


Bioorg Med Chem 23: 5870-80 (2015)


Article DOI: 10.1016/j.bmc.2015.06.068
BindingDB Entry DOI: 10.7270/Q20P11SM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50511058
PNG
(CHEMBL4453514)
Show SMILES COc1cccc(OC(=O)COC(=O)\C=C\c2ccc(O)cc2)c1
Show InChI InChI=1S/C18H16O6/c1-22-15-3-2-4-16(11-15)24-18(21)12-23-17(20)10-7-13-5-8-14(19)9-6-13/h2-11,19H,12H2,1H3/b10-7+
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n/an/a 5.70E+3n/an/an/an/an/an/a



The University of Queensland (UQ)

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA as substrate preincubated for 10 mins followed by substr...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126722
BindingDB Entry DOI: 10.7270/Q29S1VBJ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50108112
PNG
(CHEMBL3601648)
Show SMILES COc1cc(C=O)ccc1OC(=O)COC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C19H16O7/c1-24-17-10-14(11-20)4-8-16(17)26-19(23)12-25-18(22)9-5-13-2-6-15(21)7-3-13/h2-11,21H,12H2,1H3/b9-5+
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n/an/a 1.61E+4n/an/an/an/an/an/a



Kongju National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins


Bioorg Med Chem 23: 5870-80 (2015)


Article DOI: 10.1016/j.bmc.2015.06.068
BindingDB Entry DOI: 10.7270/Q20P11SM
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 1.67E+4n/an/an/an/an/an/a



Kongju National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins


Bioorg Med Chem 23: 5870-80 (2015)


Article DOI: 10.1016/j.bmc.2015.06.068
BindingDB Entry DOI: 10.7270/Q20P11SM
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 1.67E+4n/an/an/an/an/an/a



The University of Queensland (UQ)

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA as substrate preincubated for 10 mins followed by substr...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126722
BindingDB Entry DOI: 10.7270/Q29S1VBJ
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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MMDB

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n/an/a 2.09E+4n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...


Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50108114
PNG
(CHEMBL3601650)
Show SMILES COc1cc(C=O)ccc1OC(=O)CN1CCN(C)CC1
Show InChI InChI=1S/C15H20N2O4/c1-16-5-7-17(8-6-16)10-15(19)21-13-4-3-12(11-18)9-14(13)20-2/h3-4,9,11H,5-8,10H2,1-2H3
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n/an/a 2.16E+4n/an/an/an/an/an/a



Kongju National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins


Bioorg Med Chem 23: 5870-80 (2015)


Article DOI: 10.1016/j.bmc.2015.06.068
BindingDB Entry DOI: 10.7270/Q20P11SM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50511056
PNG
(CHEMBL4578912)
Show SMILES COc1cccc(OC(=O)COC(=O)c2ccc(O)cc2O)c1
Show InChI InChI=1S/C16H14O7/c1-21-11-3-2-4-12(8-11)23-15(19)9-22-16(20)13-6-5-10(17)7-14(13)18/h2-8,17-18H,9H2,1H3
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n/an/a 2.38E+4n/an/an/an/an/an/a



The University of Queensland (UQ)

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA as substrate preincubated for 10 mins followed by substr...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126722
BindingDB Entry DOI: 10.7270/Q29S1VBJ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50108113
PNG
(CHEMBL3601649)
Show SMILES COc1cc(C=O)ccc1OC(=O)COC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClO6/c1-24-17-10-14(11-21)4-8-16(17)26-19(23)12-25-18(22)9-5-13-2-6-15(20)7-3-13/h2-11H,12H2,1H3/b9-5+
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n/an/a 3.09E+4n/an/an/an/an/an/a



Kongju National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins


Bioorg Med Chem 23: 5870-80 (2015)


Article DOI: 10.1016/j.bmc.2015.06.068
BindingDB Entry DOI: 10.7270/Q20P11SM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50511057
PNG
(CHEMBL4437587)
Show SMILES COc1cccc(OC(=O)COC(=O)\C=C\c2ccccc2)c1
Show InChI InChI=1S/C18H16O5/c1-21-15-8-5-9-16(12-15)23-18(20)13-22-17(19)11-10-14-6-3-2-4-7-14/h2-12H,13H2,1H3/b11-10+
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n/an/a 3.94E+4n/an/an/an/an/an/a



The University of Queensland (UQ)

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA as substrate preincubated for 10 mins followed by substr...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126722
BindingDB Entry DOI: 10.7270/Q29S1VBJ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50108109
PNG
(CHEMBL3601645)
Show SMILES COc1cc(C=O)ccc1OC(=O)COC(=O)c1ccc(O)cc1O
Show InChI InChI=1S/C17H14O8/c1-23-15-6-10(8-18)2-5-14(15)25-16(21)9-24-17(22)12-4-3-11(19)7-13(12)20/h2-8,19-20H,9H2,1H3
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n/an/a 4.26E+4n/an/an/an/an/an/a



Kongju National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins


Bioorg Med Chem 23: 5870-80 (2015)


Article DOI: 10.1016/j.bmc.2015.06.068
BindingDB Entry DOI: 10.7270/Q20P11SM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50108111
PNG
(CHEMBL3601647)
Show SMILES COc1cc(C=O)ccc1OC(=O)COC(=O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H14O8/c1-23-15-4-10(8-18)2-3-14(15)25-16(21)9-24-17(22)11-5-12(19)7-13(20)6-11/h2-8,19-20H,9H2,1H3
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n/an/a 5.98E+4n/an/an/an/an/an/a



Kongju National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins


Bioorg Med Chem 23: 5870-80 (2015)


Article DOI: 10.1016/j.bmc.2015.06.068
BindingDB Entry DOI: 10.7270/Q20P11SM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50108107
PNG
(CHEMBL3601643)
Show SMILES COc1cc(C=O)ccc1OC(=O)CCl
Show InChI InChI=1S/C10H9ClO4/c1-14-9-4-7(6-12)2-3-8(9)15-10(13)5-11/h2-4,6H,5H2,1H3
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n/an/a 7.89E+4n/an/an/an/an/an/a



Kongju National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins


Bioorg Med Chem 23: 5870-80 (2015)


Article DOI: 10.1016/j.bmc.2015.06.068
BindingDB Entry DOI: 10.7270/Q20P11SM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50108115
PNG
(CHEMBL3601651)
Show SMILES COc1cc(C=O)ccc1OC(=O)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H22N2O4/c1-25-19-13-16(15-23)7-8-18(19)26-20(24)14-21-9-11-22(12-10-21)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3
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n/an/a 1.01E+5n/an/an/an/an/an/a



Kongju National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins


Bioorg Med Chem 23: 5870-80 (2015)


Article DOI: 10.1016/j.bmc.2015.06.068
BindingDB Entry DOI: 10.7270/Q20P11SM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50511063
PNG
(CHEMBL4452349)
Show SMILES Oc1ccc(\C=C\C(=O)OCC(=O)Oc2ccc3ccc(=O)oc3c2)cc1
Show InChI InChI=1S/C20H14O7/c21-15-6-1-13(2-7-15)3-9-18(22)25-12-20(24)26-16-8-4-14-5-10-19(23)27-17(14)11-16/h1-11,21H,12H2/b9-3+
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n/an/a 1.24E+5n/an/an/an/an/an/a



The University of Queensland (UQ)

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA as substrate preincubated for 10 mins followed by substr...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126722
BindingDB Entry DOI: 10.7270/Q29S1VBJ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50108110
PNG
(CHEMBL3601646)
Show SMILES COc1cc(C=O)ccc1OC(=O)COC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H14O8/c1-23-15-6-10(8-18)2-5-14(15)25-16(21)9-24-17(22)11-3-4-12(19)13(20)7-11/h2-8,19-20H,9H2,1H3
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n/an/a 1.57E+5n/an/an/an/an/an/a



Kongju National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins


Bioorg Med Chem 23: 5870-80 (2015)


Article DOI: 10.1016/j.bmc.2015.06.068
BindingDB Entry DOI: 10.7270/Q20P11SM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50511061
PNG
(CHEMBL4439676)
Show SMILES COc1cccc(OC(=O)COC(=O)\C=C\c2ccccc2O)c1
Show InChI InChI=1S/C18H16O6/c1-22-14-6-4-7-15(11-14)24-18(21)12-23-17(20)10-9-13-5-2-3-8-16(13)19/h2-11,19H,12H2,1H3/b10-9+
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n/an/a 1.73E+5n/an/an/an/an/an/a



The University of Queensland (UQ)

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA as substrate preincubated for 10 mins followed by substr...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126722
BindingDB Entry DOI: 10.7270/Q29S1VBJ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50511059
PNG
(CHEMBL4468115)
Show SMILES COc1cccc(OC(=O)COC(=O)c2cc(O)cc(O)c2)c1
Show InChI InChI=1S/C16H14O7/c1-21-13-3-2-4-14(8-13)23-15(19)9-22-16(20)10-5-11(17)7-12(18)6-10/h2-8,17-18H,9H2,1H3
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n/an/a 1.93E+5n/an/an/an/an/an/a



The University of Queensland (UQ)

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA as substrate preincubated for 10 mins followed by substr...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126722
BindingDB Entry DOI: 10.7270/Q29S1VBJ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50108108
PNG
(CHEMBL3601644)
Show SMILES COc1cc(C=O)ccc1OC(=O)COC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C17H14O7/c1-22-15-8-11(9-18)2-7-14(15)24-16(20)10-23-17(21)12-3-5-13(19)6-4-12/h2-9,19H,10H2,1H3
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n/an/a 2.01E+5n/an/an/an/an/an/a



Kongju National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins


Bioorg Med Chem 23: 5870-80 (2015)


Article DOI: 10.1016/j.bmc.2015.06.068
BindingDB Entry DOI: 10.7270/Q20P11SM
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50511060
PNG
(CHEMBL4582859)
Show SMILES COc1cccc(OC(=O)COC(=O)c2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C16H14O7/c1-21-11-3-2-4-12(8-11)23-15(19)9-22-16(20)10-5-6-13(17)14(18)7-10/h2-8,17-18H,9H2,1H3
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n/an/a 2.99E+5n/an/an/an/an/an/a



The University of Queensland (UQ)

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA as substrate preincubated for 10 mins followed by substr...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126722
BindingDB Entry DOI: 10.7270/Q29S1VBJ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50511062
PNG
(CHEMBL4448917)
Show SMILES COc1cccc(OC(=O)COC(=O)c2cccc(O)c2)c1
Show InChI InChI=1S/C16H14O6/c1-20-13-6-3-7-14(9-13)22-15(18)10-21-16(19)11-4-2-5-12(17)8-11/h2-9,17H,10H2,1H3
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n/an/a 3.15E+5n/an/an/an/an/an/a



The University of Queensland (UQ)

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA as substrate preincubated for 10 mins followed by substr...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126722
BindingDB Entry DOI: 10.7270/Q29S1VBJ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50511055
PNG
(CHEMBL4519402)
Show SMILES COc1cccc(OC(=O)COC(=O)c2ccc(O)cc2)c1
Show InChI InChI=1S/C16H14O6/c1-20-13-3-2-4-14(9-13)22-15(18)10-21-16(19)11-5-7-12(17)8-6-11/h2-9,17H,10H2,1H3
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n/an/a 3.38E+5n/an/an/an/an/an/a



The University of Queensland (UQ)

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA as substrate preincubated for 10 mins followed by substr...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126722
BindingDB Entry DOI: 10.7270/Q29S1VBJ
More data for this
Ligand-Target Pair