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Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'gal' and Initial = 'sw'   
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))
BDBM50269559
PNG
(2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc(c(O)c1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H
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0.610 -53.5n/an/an/an/an/an/a30



Gyeongsang National University



Assay Description
Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate. In spectrophotometric experiments, enzyme activity was monitored by dopachrome f...


J Enzyme Inhib Med Chem 23: 922-30 (2008)


Article DOI: 10.1080/14756360701810207
BindingDB Entry DOI: 10.7270/Q2P849G3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50343137
PNG
(CHEMBL1770313 | Cyclomorusin | Cycolmorusin, 2)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#8]-c2cc(-[#8])ccc2-c2oc3c4-[#6]=[#6]C([#6])([#6])[#8]-c4cc(-[#8])c3c(=O)c12 |c:18|
Show InChI InChI=1S/C25H22O6/c1-12(2)9-19-21-22(28)20-16(27)11-18-15(7-8-25(3,4)31-18)23(20)30-24(21)14-6-5-13(26)10-17(14)29-19/h5-11,19,26-27H,1-4H3
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46.4 -42.6n/an/an/an/an/an/a30



Gyeongsang National University



Assay Description
Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate. In spectrophotometric experiments, enzyme activity was monitored by dopachrome f...


J Enzyme Inhib Med Chem 23: 922-30 (2008)


Article DOI: 10.1080/14756360701810207
BindingDB Entry DOI: 10.7270/Q2P849G3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM91591
PNG
(Mormin, 1)
Show SMILES C\C(CO)=C/Cc1c(oc2c3C=CC(C)(CO)Oc3cc(O)c2c1=O)-c1ccc(O)cc1O |c:11|
Show InChI InChI=1S/C25H24O8/c1-13(11-26)3-5-17-22(31)21-19(30)10-20-16(7-8-25(2,12-27)33-20)24(21)32-23(17)15-6-4-14(28)9-18(15)29/h3-4,6-10,26-30H,5,11-12H2,1-2H3/b13-3+
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49.2 -42.4n/an/an/an/an/an/a30



Gyeongsang National University



Assay Description
Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate. In spectrophotometric experiments, enzyme activity was monitored by dopachrome f...


J Enzyme Inhib Med Chem 23: 922-30 (2008)


Article DOI: 10.1080/14756360701810207
BindingDB Entry DOI: 10.7270/Q2P849G3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50242015
PNG
(CHEMBL518543 | Kuwanon C, 4 | kuwanon C)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1oc(-c1ccc(-[#8])cc1-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2=O
Show InChI InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
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80.5 -41.2n/an/an/an/an/an/a30



Gyeongsang National University



Assay Description
Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate. In spectrophotometric experiments, enzyme activity was monitored by dopachrome f...


J Enzyme Inhib Med Chem 23: 922-30 (2008)


Article DOI: 10.1080/14756360701810207
BindingDB Entry DOI: 10.7270/Q2P849G3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50269559
PNG
(2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc(c(O)c1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H
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n/an/a 1.20E+3n/an/an/an/an/a30



Gyeongsang National University



Assay Description
Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate. In spectrophotometric experiments, enzyme activity was monitored by dopachrome f...


J Enzyme Inhib Med Chem 23: 922-30 (2008)


Article DOI: 10.1080/14756360701810207
BindingDB Entry DOI: 10.7270/Q2P849G3
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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PubMed
n/an/a 1.25E+4n/an/an/an/an/a30



Gyeongsang National University



Assay Description
Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate. In spectrophotometric experiments, enzyme activity was monitored by dopachrome f...


J Enzyme Inhib Med Chem 23: 922-30 (2008)


Article DOI: 10.1080/14756360701810207
BindingDB Entry DOI: 10.7270/Q2P849G3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM91591
PNG
(Mormin, 1)
Show SMILES C\C(CO)=C/Cc1c(oc2c3C=CC(C)(CO)Oc3cc(O)c2c1=O)-c1ccc(O)cc1O |c:11|
Show InChI InChI=1S/C25H24O8/c1-13(11-26)3-5-17-22(31)21-19(30)10-20-16(7-8-25(2,12-27)33-20)24(21)32-23(17)15-6-4-14(28)9-18(15)29/h3-4,6-10,26-30H,5,11-12H2,1-2H3/b13-3+
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n/an/a 8.78E+4n/an/an/an/an/a30



Gyeongsang National University



Assay Description
Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate. In spectrophotometric experiments, enzyme activity was monitored by dopachrome f...


J Enzyme Inhib Med Chem 23: 922-30 (2008)


Article DOI: 10.1080/14756360701810207
BindingDB Entry DOI: 10.7270/Q2P849G3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50343137
PNG
(CHEMBL1770313 | Cyclomorusin | Cycolmorusin, 2)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#8]-c2cc(-[#8])ccc2-c2oc3c4-[#6]=[#6]C([#6])([#6])[#8]-c4cc(-[#8])c3c(=O)c12 |c:18|
Show InChI InChI=1S/C25H22O6/c1-12(2)9-19-21-22(28)20-16(27)11-18-15(7-8-25(3,4)31-18)23(20)30-24(21)14-6-5-13(26)10-17(14)29-19/h5-11,19,26-27H,1-4H3
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n/an/a 9.16E+4n/an/an/an/an/a30



Gyeongsang National University



Assay Description
Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate. In spectrophotometric experiments, enzyme activity was monitored by dopachrome f...


J Enzyme Inhib Med Chem 23: 922-30 (2008)


Article DOI: 10.1080/14756360701810207
BindingDB Entry DOI: 10.7270/Q2P849G3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50242015
PNG
(CHEMBL518543 | Kuwanon C, 4 | kuwanon C)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1oc(-c1ccc(-[#8])cc1-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2=O
Show InChI InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
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PubMed
n/an/a 1.35E+5n/an/an/an/an/a30



Gyeongsang National University



Assay Description
Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate. In spectrophotometric experiments, enzyme activity was monitored by dopachrome f...


J Enzyme Inhib Med Chem 23: 922-30 (2008)


Article DOI: 10.1080/14756360701810207
BindingDB Entry DOI: 10.7270/Q2P849G3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50343137
PNG
(CHEMBL1770313 | Cyclomorusin | Cycolmorusin, 2)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#8]-c2cc(-[#8])ccc2-c2oc3c4-[#6]=[#6]C([#6])([#6])[#8]-c4cc(-[#8])c3c(=O)c12 |c:18|
Show InChI InChI=1S/C25H22O6/c1-12(2)9-19-21-22(28)20-16(27)11-18-15(7-8-25(3,4)31-18)23(20)30-24(21)14-6-5-13(26)10-17(14)29-19/h5-11,19,26-27H,1-4H3
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PubMed
n/an/a 1.61E+5n/an/an/an/an/a30



Gyeongsang National University



Assay Description
Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate. In spectrophotometric experiments, enzyme activity was monitored by dopachrome f...


J Enzyme Inhib Med Chem 23: 922-30 (2008)


Article DOI: 10.1080/14756360701810207
BindingDB Entry DOI: 10.7270/Q2P849G3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM91591
PNG
(Mormin, 1)
Show SMILES C\C(CO)=C/Cc1c(oc2c3C=CC(C)(CO)Oc3cc(O)c2c1=O)-c1ccc(O)cc1O |c:11|
Show InChI InChI=1S/C25H24O8/c1-13(11-26)3-5-17-22(31)21-19(30)10-20-16(7-8-25(2,12-27)33-20)24(21)32-23(17)15-6-4-14(28)9-18(15)29/h3-4,6-10,26-30H,5,11-12H2,1-2H3/b13-3+
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n/an/a 2.15E+5n/an/an/an/an/a30



Gyeongsang National University



Assay Description
Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate. In spectrophotometric experiments, enzyme activity was monitored by dopachrome f...


J Enzyme Inhib Med Chem 23: 922-30 (2008)


Article DOI: 10.1080/14756360701810207
BindingDB Entry DOI: 10.7270/Q2P849G3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50242014
PNG
(CHEMBL464006 | Morusin | Morusin, 3 | TCMDC-124149...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c3-[#6]=[#6]C([#6])([#6])[#8]-c3cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |c:10|
Show InChI InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3
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n/an/a>2.50E+5n/an/an/an/an/a30



Gyeongsang National University



Assay Description
Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate. In spectrophotometric experiments, enzyme activity was monitored by dopachrome f...


J Enzyme Inhib Med Chem 23: 922-30 (2008)


Article DOI: 10.1080/14756360701810207
BindingDB Entry DOI: 10.7270/Q2P849G3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50242015
PNG
(CHEMBL518543 | Kuwanon C, 4 | kuwanon C)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1oc(-c1ccc(-[#8])cc1-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2=O
Show InChI InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
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n/an/a>3.00E+5n/an/an/an/an/a30



Gyeongsang National University



Assay Description
Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate. In spectrophotometric experiments, enzyme activity was monitored by dopachrome f...


J Enzyme Inhib Med Chem 23: 922-30 (2008)


Article DOI: 10.1080/14756360701810207
BindingDB Entry DOI: 10.7270/Q2P849G3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50269559
PNG
(2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc(c(O)c1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H
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n/an/a>3.00E+5n/an/an/an/an/a30



Gyeongsang National University



Assay Description
Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate. In spectrophotometric experiments, enzyme activity was monitored by dopachrome f...


J Enzyme Inhib Med Chem 23: 922-30 (2008)


Article DOI: 10.1080/14756360701810207
BindingDB Entry DOI: 10.7270/Q2P849G3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50242014
PNG
(CHEMBL464006 | Morusin | Morusin, 3 | TCMDC-124149...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c3-[#6]=[#6]C([#6])([#6])[#8]-c3cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |c:10|
Show InChI InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3
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n/an/a>3.00E+5n/an/an/an/an/a30



Gyeongsang National University



Assay Description
Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate. In spectrophotometric experiments, enzyme activity was monitored by dopachrome f...


J Enzyme Inhib Med Chem 23: 922-30 (2008)


Article DOI: 10.1080/14756360701810207
BindingDB Entry DOI: 10.7270/Q2P849G3
More data for this
Ligand-Target Pair