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Compile Data Set for Download or QSAR

Found 17 hits from Department of Functional Crop   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50068224
PNG
((E)-1,3-Bis-(4-hydroxy-phenyl)-propenone | 1,3-bis...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H12O3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,16-17H/b10-3+
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2.90E+3n/an/an/an/an/an/an/an/a



Department of Functional Crop

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 45: 2010-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.049
BindingDB Entry DOI: 10.7270/Q2H70FZM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50174839
PNG
(1-(4-aminophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-o...)
Show SMILES Nc1ccc(cc1)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C15H13NO2/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10,17H,16H2/b10-3+
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PubMed
3.90E+3n/an/an/an/an/an/an/an/a



Department of Functional Crop

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 45: 2010-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.049
BindingDB Entry DOI: 10.7270/Q2H70FZM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50316855
PNG
(4'-(4-Nitrobenzensulfonamide)-4-hydroxychalcone | ...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)cc2)cc1
Show InChI InChI=1S/C21H16N2O6S/c24-19-10-1-15(2-11-19)3-14-21(25)16-4-6-17(7-5-16)22-30(28,29)20-12-8-18(9-13-20)23(26)27/h1-14,22,24H/b14-3+
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1.14E+4n/an/an/an/an/an/an/an/a



Department of Functional Crop

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 45: 2010-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.049
BindingDB Entry DOI: 10.7270/Q2H70FZM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50174835
PNG
(4'-(4-toluenesulfonamido)-4-hydroxychalcone | 4'-(...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C22H19NO4S/c1-16-2-13-21(14-3-16)28(26,27)23-19-9-7-18(8-10-19)22(25)15-6-17-4-11-20(24)12-5-17/h2-15,23-24H,1H3/b15-6+
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1.26E+4n/an/an/an/an/an/an/an/a



Department of Functional Crop

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 45: 2010-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.049
BindingDB Entry DOI: 10.7270/Q2H70FZM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50316853
PNG
(4'-(Benzensulfonamide)-4-hydroxychalcone | CHEMBL1...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C21H17NO4S/c23-19-13-6-16(7-14-19)8-15-21(24)17-9-11-18(12-10-17)22-27(25,26)20-4-2-1-3-5-20/h1-15,22-23H/b15-8+
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1.33E+4n/an/an/an/an/an/an/an/a



Department of Functional Crop

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 45: 2010-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.049
BindingDB Entry DOI: 10.7270/Q2H70FZM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50316857
PNG
(4'-(4-Fluorobenzensulfonamide)-4-hydroxychalcone |...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1
Show InChI InChI=1S/C21H16FNO4S/c22-17-6-12-20(13-7-17)28(26,27)23-18-8-4-16(5-9-18)21(25)14-3-15-1-10-19(24)11-2-15/h1-14,23-24H/b14-3+
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1.49E+4n/an/an/an/an/an/an/an/a



Department of Functional Crop

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 45: 2010-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.049
BindingDB Entry DOI: 10.7270/Q2H70FZM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50316856
PNG
(4'-(4-Aminobenzensulfonamide)-4-hydroxychalcone | ...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C21H18N2O4S/c22-17-6-12-20(13-7-17)28(26,27)23-18-8-4-16(5-9-18)21(25)14-3-15-1-10-19(24)11-2-15/h1-14,23-24H,22H2/b14-3+
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1.67E+4n/an/an/an/an/an/an/an/a



Department of Functional Crop

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 45: 2010-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.049
BindingDB Entry DOI: 10.7270/Q2H70FZM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50316854
PNG
(4'-(4-Hydroxylbenzensulfonamide)-4-hydroxychalcone...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(NS(=O)(=O)c3ccc(O)cc3)cc2)cc1
Show InChI InChI=1S/C21H17NO5S/c23-18-8-1-15(2-9-18)3-14-21(25)16-4-6-17(7-5-16)22-28(26,27)20-12-10-19(24)11-13-20/h1-14,22-24H/b14-3+
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2.52E+4n/an/an/an/an/an/an/an/a



Department of Functional Crop

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 45: 2010-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.049
BindingDB Entry DOI: 10.7270/Q2H70FZM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50068224
PNG
((E)-1,3-Bis-(4-hydroxy-phenyl)-propenone | 1,3-bis...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H12O3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,16-17H/b10-3+
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n/an/a 4.80E+3n/an/an/an/an/an/a



Department of Functional Crop

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by spectrophotometric analysis


Eur J Med Chem 45: 2010-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.049
BindingDB Entry DOI: 10.7270/Q2H70FZM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50174839
PNG
(1-(4-aminophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-o...)
Show SMILES Nc1ccc(cc1)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C15H13NO2/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10,17H,16H2/b10-3+
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n/an/a 8.30E+3n/an/an/an/an/an/a



Department of Functional Crop

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by spectrophotometric analysis


Eur J Med Chem 45: 2010-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.049
BindingDB Entry DOI: 10.7270/Q2H70FZM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50316855
PNG
(4'-(4-Nitrobenzensulfonamide)-4-hydroxychalcone | ...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)cc2)cc1
Show InChI InChI=1S/C21H16N2O6S/c24-19-10-1-15(2-11-19)3-14-21(25)16-4-6-17(7-5-16)22-30(28,29)20-12-8-18(9-13-20)23(26)27/h1-14,22,24H/b14-3+
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n/an/a 1.52E+4n/an/an/an/an/an/a



Department of Functional Crop

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by spectrophotometric analysis


Eur J Med Chem 45: 2010-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.049
BindingDB Entry DOI: 10.7270/Q2H70FZM
More data for this
Ligand-Target Pair
Tyrosinase


(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 1.63E+4n/an/an/an/an/an/a



Department of Functional Crop

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by spectrophotometric analysis


Eur J Med Chem 45: 2010-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.049
BindingDB Entry DOI: 10.7270/Q2H70FZM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50316853
PNG
(4'-(Benzensulfonamide)-4-hydroxychalcone | CHEMBL1...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C21H17NO4S/c23-19-13-6-16(7-14-19)8-15-21(24)17-9-11-18(12-10-17)22-27(25,26)20-4-2-1-3-5-20/h1-15,22-23H/b15-8+
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n/an/a 2.25E+4n/an/an/an/an/an/a



Department of Functional Crop

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by spectrophotometric analysis


Eur J Med Chem 45: 2010-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.049
BindingDB Entry DOI: 10.7270/Q2H70FZM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50174835
PNG
(4'-(4-toluenesulfonamido)-4-hydroxychalcone | 4'-(...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C22H19NO4S/c1-16-2-13-21(14-3-16)28(26,27)23-19-9-7-18(8-10-19)22(25)15-6-17-4-11-20(24)12-5-17/h2-15,23-24H,1H3/b15-6+
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n/an/a 2.33E+4n/an/an/an/an/an/a



Department of Functional Crop

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by spectrophotometric analysis


Eur J Med Chem 45: 2010-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.049
BindingDB Entry DOI: 10.7270/Q2H70FZM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50316857
PNG
(4'-(4-Fluorobenzensulfonamide)-4-hydroxychalcone |...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1
Show InChI InChI=1S/C21H16FNO4S/c22-17-6-12-20(13-7-17)28(26,27)23-18-8-4-16(5-9-18)21(25)14-3-15-1-10-19(24)11-2-15/h1-14,23-24H/b14-3+
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n/an/a 2.91E+4n/an/an/an/an/an/a



Department of Functional Crop

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by spectrophotometric analysis


Eur J Med Chem 45: 2010-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.049
BindingDB Entry DOI: 10.7270/Q2H70FZM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50316856
PNG
(4'-(4-Aminobenzensulfonamide)-4-hydroxychalcone | ...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C21H18N2O4S/c22-17-6-12-20(13-7-17)28(26,27)23-18-8-4-16(5-9-18)21(25)14-3-15-1-10-19(24)11-2-15/h1-14,23-24H,22H2/b14-3+
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n/an/a 3.07E+4n/an/an/an/an/an/a



Department of Functional Crop

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by spectrophotometric analysis


Eur J Med Chem 45: 2010-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.049
BindingDB Entry DOI: 10.7270/Q2H70FZM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50316854
PNG
(4'-(4-Hydroxylbenzensulfonamide)-4-hydroxychalcone...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(NS(=O)(=O)c3ccc(O)cc3)cc2)cc1
Show InChI InChI=1S/C21H17NO5S/c23-18-8-1-15(2-9-18)3-14-21(25)16-4-6-17(7-5-16)22-28(26,27)20-12-10-19(24)11-13-20/h1-14,22-24H/b14-3+
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n/an/a 5.88E+4n/an/an/an/an/an/a



Department of Functional Crop

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by spectrophotometric analysis


Eur J Med Chem 45: 2010-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.049
BindingDB Entry DOI: 10.7270/Q2H70FZM
More data for this
Ligand-Target Pair