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Compile Data Set for Download or QSAR

Found 299 hits with Last Name = 'curtis-long' and Initial = 'mj'   
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
Tyrosinase


(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
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50134709
PNG
(CHEMBL3747057)
Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O |r,c:16|
Show InChI InChI=1/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/s2
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1.5n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Time dependent inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate measured every 30 secs by Morrison and Walsh...


Bioorg Med Chem 24: 153-9 (2016)


BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50134709
PNG
(CHEMBL3747057)
Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O |r,c:16|
Show InChI InChI=1/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/s2
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19n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...


Bioorg Med Chem 24: 153-9 (2016)


BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Tyrosinase


(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
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50254430
PNG
(CHEMBL468906 | broussonin C)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6]-[#6]-[#6]-c2ccc(-[#8])cc2-[#8])ccc1-[#8]
Show InChI InChI=1S/C20H24O3/c1-14(2)6-8-17-12-15(7-11-19(17)22)4-3-5-16-9-10-18(21)13-20(16)23/h6-7,9-13,21-23H,3-5,8H2,1-2H3
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48.5n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase by kinetic based assay


Bioorg Med Chem 17: 35-41 (2008)


Article DOI: 10.1016/j.bmc.2008.11.022
BindingDB Entry DOI: 10.7270/Q2GH9HTH
More data for this
Ligand-Target Pair
Tyrosinase


(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
Sialidase


(Clostridium perfringens)
BDBM50278443
PNG
(1,3,6,7-tetrahydroxy-2-(3-methylbut-2-enyl)-8-(2-m...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])c(-[#8])cc2-[#8]-[#6]-3-[#6]-[#6](=O)-[#6](-[#6](=O)-[#6]-3-[#6](=O)-c12)C([#6])([#6])[#6]=[#6]
Show InChI InChI=1S/C23H26O6/c1-6-23(4,5)19-13(24)9-16-18(22(19)28)21(27)17-12(8-7-11(2)3)20(26)14(25)10-15(17)29-16/h6-7,10,16,18-19,25-26H,1,8-9H2,2-5H3
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58n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by Lineweaver-Burke plot and Dixon plot


Bioorg Med Chem 17: 2744-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.042
BindingDB Entry DOI: 10.7270/Q2V69KG5
More data for this
Ligand-Target Pair
Tyrosinase


(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
Sialidase


(Clostridium perfringens)
BDBM50175018
PNG
(4,7,8-trihydroxy-2,3,3-trimethyl-9-(3-methylbut-2-...)
Show SMILES [#6]-[#6]1-[#8]-c2cc3oc4c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#8])cc4c(=O)c3c(-[#8])c2C1([#6])[#6]
Show InChI InChI=1S/C23H24O6/c1-10(2)6-7-12-19(25)14(24)8-13-20(26)17-15(29-22(12)13)9-16-18(21(17)27)23(4,5)11(3)28-16/h6,8-9,11,24-25,27H,7H2,1-5H3
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98n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by Lineweaver-Burke plot and Dixon plot


Bioorg Med Chem 17: 2744-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.042
BindingDB Entry DOI: 10.7270/Q2V69KG5
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50378020
PNG
(MACLURAXANTHONE)
Show SMILES CC(C)(C=C)c1c2OC(C)(C)C=Cc2c(O)c2c1oc1c(O)c(O)ccc1c2=O |c:11|
Show InChI InChI=1S/C23H22O6/c1-6-22(2,3)15-19-12(9-10-23(4,5)29-19)17(26)14-16(25)11-7-8-13(24)18(27)20(11)28-21(14)15/h6-10,24,26-27H,1H2,2-5H3
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103n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by Lineweaver-Burke plot and Dixon plot


Bioorg Med Chem 17: 2744-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.042
BindingDB Entry DOI: 10.7270/Q2V69KG5
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50355214
PNG
(CHEMBL401566)
Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-[#6]-[#6@@H]-3-[#6@@H](-[#8]-c4c-3ccc(-[#8])c4-[#6]\[#6]=[#6](\[#6])-[#6])-c12
Show InChI InChI=1S/C26H30O5/c1-14(2)6-8-17-20(27)11-10-16-19-13-30-22-12-21(28)18(9-7-15(3)4)25(29-5)23(22)26(19)31-24(16)17/h6-7,10-12,19,26-28H,8-9,13H2,1-5H3/t19-,26+/m0/s1
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110n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate by Linewe...


Bioorg Med Chem Lett 21: 6100-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.046
BindingDB Entry DOI: 10.7270/Q2C53M8X
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50278443
PNG
(1,3,6,7-tetrahydroxy-2-(3-methylbut-2-enyl)-8-(2-m...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])c(-[#8])cc2-[#8]-[#6]-3-[#6]-[#6](=O)-[#6](-[#6](=O)-[#6]-3-[#6](=O)-c12)C([#6])([#6])[#6]=[#6]
Show InChI InChI=1S/C23H26O6/c1-6-23(4,5)19-13(24)9-16-18(22(19)28)21(27)17-12(8-7-11(2)3)20(26)14(25)10-15(17)29-16/h6-7,10,16,18-19,25-26H,1,8-9H2,2-5H3
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127n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Apparent binding affinity at Clostridium perfringens neuraminidase by fluorimetry


Bioorg Med Chem 17: 2744-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.042
BindingDB Entry DOI: 10.7270/Q2V69KG5
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50134709
PNG
(CHEMBL3747057)
Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O |r,c:16|
Show InChI InChI=1/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/s2
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130n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 to 60 mins by Lineweaver-Burk and ...


Bioorg Med Chem 24: 153-9 (2016)


BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50442400
PNG
(AURICULASIN)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c2-[#8]C([#6])([#6])[#6]=[#6]-c2c(-[#8])c2c1occ(-c1ccc(-[#8])c(-[#8])c1)c2=O |c:11|
Show InChI InChI=1S/C25H24O6/c1-13(2)5-7-16-23-15(9-10-25(3,4)31-23)21(28)20-22(29)17(12-30-24(16)20)14-6-8-18(26)19(27)11-14/h5-6,8-12,26-28H,7H2,1-4H3
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130n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as...


Bioorg Med Chem 21: 6398-404 (2013)


Article DOI: 10.1016/j.bmc.2013.08.049
BindingDB Entry DOI: 10.7270/Q2Z89DVN
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50278346
PNG
(CHEMBL470844 | Cudratricusxanthone)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])c(-[#8])cc2-[#8]-[#6]-3-[#6](-[#6](=O)-[#6]-[#6](=O)-[#6]-3C([#6])([#6])[#6]=[#6])-[#6](=O)-c12
Show InChI InChI=1S/C23H26O6/c1-6-23(4,5)19-14(25)9-13(24)18-21(28)17-12(8-7-11(2)3)20(27)15(26)10-16(17)29-22(18)19/h6-7,10,18-19,22,26-27H,1,8-9H2,2-5H3
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136n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by Lineweaver-Burke plot and Dixon plot


Bioorg Med Chem 17: 2744-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.042
BindingDB Entry DOI: 10.7270/Q2V69KG5
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50175013
PNG
(1,3,6,7-tetrahydroxy-5-(3-methylbut-2-enyl)-2-(2-m...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#8])cc2c1oc1cc(-[#8])c(c(-[#8])c1c2=O)C([#6])([#6])[#6]=[#6]
Show InChI InChI=1S/C23H24O6/c1-6-23(4,5)18-14(24)10-16-17(21(18)28)20(27)13-9-15(25)19(26)12(22(13)29-16)8-7-11(2)3/h6-7,9-10,24-26,28H,1,8H2,2-5H3
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138n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by Lineweaver-Burke plot and Dixon plot


Bioorg Med Chem 17: 2744-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.042
BindingDB Entry DOI: 10.7270/Q2V69KG5
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50175019
PNG
(2,3,8-trihydroxy-6-methoxy-1-(3-methylbut-2-enyl)-...)
Show SMILES [#6]-[#8]-c1cc(-[#8])c2c(oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c2=O)c1C([#6])([#6])[#6]=[#6]
Show InChI InChI=1S/C24H26O6/c1-7-24(4,5)20-17(29-6)10-14(25)19-22(28)18-13(9-8-12(2)3)21(27)15(26)11-16(18)30-23(19)20/h7-8,10-11,25-27H,1,9H2,2-6H3
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143n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by Lineweaver-Burke plot and Dixon plot


Bioorg Med Chem 17: 2744-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.042
BindingDB Entry DOI: 10.7270/Q2V69KG5
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50325675
PNG
(CHEMBL480158 | smeathxanthone A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3c(-[#8])ccc(-[#8])c3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O6/c1-12(2)5-4-6-13(3)7-8-14-17(26)11-18-20(21(14)27)22(28)19-15(24)9-10-16(25)23(19)29-18/h5,7,9-11,24-27H,4,6,8H2,1-3H3/b13-7+
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150n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry


Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50134710
PNG
(CHEMBL3745886)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6]-2-[#6]-[#8]-c3cc(-[#8])cc(-[#8])c3-[#6]-2=O)c1-[#8]
Show InChI InChI=1/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-12,19,26-29H,4,6,8,13H2,1-3H3/b15-7+
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151n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Time dependent inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate measured every 30 secs by Morrison and Walsh...


Bioorg Med Chem 24: 153-9 (2016)


BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50355210
PNG
(CHEMBL1835715)
Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-[#6]-[#6@@H]-3-[#6@@H](-[#8]-c4c-3cc(-[#6])c(-[#8])c4-[#6]\[#6]=[#6](\[#6])-[#6])-c12 |r|
Show InChI InChI=1S/C27H32O5/c1-14(2)7-9-17-21(28)12-22-23(26(17)30-6)27-20(13-31-22)19-11-16(5)24(29)18(25(19)32-27)10-8-15(3)4/h7-8,11-12,20,27-29H,9-10,13H2,1-6H3/t20-,27+/m0/s1
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160n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate by Linewe...


Bioorg Med Chem Lett 21: 6100-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.046
BindingDB Entry DOI: 10.7270/Q2C53M8X
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50355212
PNG
(CHEMBL1835717)
Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6]-[#6@@H]-3-[#6@@H](-[#8]-c4cc(-[#8])ccc-34)-c12 |r|
Show InChI InChI=1S/C26H30O5/c1-15(2)6-5-7-16(3)8-10-19-21(28)13-23(29-4)24-25(19)30-14-20-18-11-9-17(27)12-22(18)31-26(20)24/h6,8-9,11-13,20,26-28H,5,7,10,14H2,1-4H3/b16-8+/t20-,26+/m0/s1
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160n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate by Linewe...


Bioorg Med Chem Lett 21: 6100-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.046
BindingDB Entry DOI: 10.7270/Q2C53M8X
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50251001
PNG
(CHEMBL457677 | Kazinol F)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6]-[#6]-[#6]-c2ccc(-[#8])cc2-[#8])cc(-[#8])c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]
Show InChI InChI=1S/C25H32O4/c1-16(2)8-12-21-19(7-5-6-18-10-11-20(26)15-23(18)27)14-24(28)25(29)22(21)13-9-17(3)4/h8-11,14-15,26-29H,5-7,12-13H2,1-4H3
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181n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase by kinetic based assay


Bioorg Med Chem 17: 35-41 (2008)


Article DOI: 10.1016/j.bmc.2008.11.022
BindingDB Entry DOI: 10.7270/Q2GH9HTH
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50278346
PNG
(CHEMBL470844 | Cudratricusxanthone)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])c(-[#8])cc2-[#8]-[#6]-3-[#6](-[#6](=O)-[#6]-[#6](=O)-[#6]-3C([#6])([#6])[#6]=[#6])-[#6](=O)-c12
Show InChI InChI=1S/C23H26O6/c1-6-23(4,5)19-14(25)9-13(24)18-21(28)17-12(8-7-11(2)3)20(27)15(26)10-16(17)29-22(18)19/h6-7,10,18-19,22,26-27H,1,8-9H2,2-5H3
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214n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Apparent binding affinity at Clostridium perfringens neuraminidase by fluorimetry


Bioorg Med Chem 17: 2744-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.042
BindingDB Entry DOI: 10.7270/Q2V69KG5
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50254430
PNG
(CHEMBL468906 | broussonin C)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6]-[#6]-[#6]-c2ccc(-[#8])cc2-[#8])ccc1-[#8]
Show InChI InChI=1S/C20H24O3/c1-14(2)6-8-17-12-15(7-11-19(17)22)4-3-5-16-9-10-18(21)13-20(16)23/h6-7,9-13,21-23H,3-5,8H2,1-2H3
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230n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by Lineweaver-Burk plot based kinetic assay


Bioorg Med Chem 17: 35-41 (2008)


Article DOI: 10.1016/j.bmc.2008.11.022
BindingDB Entry DOI: 10.7270/Q2GH9HTH
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50254430
PNG
(CHEMBL468906 | broussonin C)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6]-[#6]-[#6]-c2ccc(-[#8])cc2-[#8])ccc1-[#8]
Show InChI InChI=1S/C20H24O3/c1-14(2)6-8-17-12-15(7-11-19(17)22)4-3-5-16-9-10-18(21)13-20(16)23/h6-7,9-13,21-23H,3-5,8H2,1-2H3
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290n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase using as L-DOPA substrate by Lineweaver-Burk plot based kinetic assay


Bioorg Med Chem 17: 35-41 (2008)


Article DOI: 10.1016/j.bmc.2008.11.022
BindingDB Entry DOI: 10.7270/Q2GH9HTH
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50251001
PNG
(CHEMBL457677 | Kazinol F)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6]-[#6]-[#6]-c2ccc(-[#8])cc2-[#8])cc(-[#8])c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]
Show InChI InChI=1S/C25H32O4/c1-16(2)8-12-21-19(7-5-6-18-10-11-20(26)15-23(18)27)14-24(28)25(29)22(21)13-9-17(3)4/h8-11,14-15,26-29H,5-7,12-13H2,1-4H3
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410n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by Lineweaver-Burk plot based kinetic assay


Bioorg Med Chem 17: 35-41 (2008)


Article DOI: 10.1016/j.bmc.2008.11.022
BindingDB Entry DOI: 10.7270/Q2GH9HTH
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50175019
PNG
(2,3,8-trihydroxy-6-methoxy-1-(3-methylbut-2-enyl)-...)
Show SMILES [#6]-[#8]-c1cc(-[#8])c2c(oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c2=O)c1C([#6])([#6])[#6]=[#6]
Show InChI InChI=1S/C24H26O6/c1-7-24(4,5)20-17(29-6)10-14(25)19-22(28)18-13(9-8-12(2)3)21(27)15(26)11-16(18)30-23(19)20/h7-8,10-11,25-27H,1,9H2,2-6H3
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436n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Apparent binding affinity at Clostridium perfringens neuraminidase by fluorimetry


Bioorg Med Chem 17: 2744-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.042
BindingDB Entry DOI: 10.7270/Q2V69KG5
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50378020
PNG
(MACLURAXANTHONE)
Show SMILES CC(C)(C=C)c1c2OC(C)(C)C=Cc2c(O)c2c1oc1c(O)c(O)ccc1c2=O |c:11|
Show InChI InChI=1S/C23H22O6/c1-6-22(2,3)15-19-12(9-10-23(4,5)29-19)17(26)14-16(25)11-7-8-13(24)18(27)20(11)28-21(14)15/h6-10,24,26-27H,1H2,2-5H3
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477n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Apparent binding affinity at Clostridium perfringens neuraminidase by fluorimetry


Bioorg Med Chem 17: 2744-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.042
BindingDB Entry DOI: 10.7270/Q2V69KG5
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50175018
PNG
(4,7,8-trihydroxy-2,3,3-trimethyl-9-(3-methylbut-2-...)
Show SMILES [#6]-[#6]1-[#8]-c2cc3oc4c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#8])cc4c(=O)c3c(-[#8])c2C1([#6])[#6]
Show InChI InChI=1S/C23H24O6/c1-10(2)6-7-12-19(25)14(24)8-13-20(26)17-15(29-22(12)13)9-16-18(21(17)27)23(4,5)11(3)28-16/h6,8-9,11,24-25,27H,7H2,1-5H3
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510n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Apparent binding affinity at Clostridium perfringens neuraminidase by fluorimetry


Bioorg Med Chem 17: 2744-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.042
BindingDB Entry DOI: 10.7270/Q2V69KG5
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50175013
PNG
(1,3,6,7-tetrahydroxy-5-(3-methylbut-2-enyl)-2-(2-m...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#8])cc2c1oc1cc(-[#8])c(c(-[#8])c1c2=O)C([#6])([#6])[#6]=[#6]
Show InChI InChI=1S/C23H24O6/c1-6-23(4,5)18-14(24)10-16-17(21(18)28)20(27)13-9-15(25)19(26)12(22(13)29-16)8-7-11(2)3/h6-7,9-10,24-26,28H,1,8H2,2-5H3
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568n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Apparent binding affinity at Clostridium perfringens neuraminidase by fluorimetry


Bioorg Med Chem 17: 2744-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.042
BindingDB Entry DOI: 10.7270/Q2V69KG5
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50251001
PNG
(CHEMBL457677 | Kazinol F)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6]-[#6]-[#6]-c2ccc(-[#8])cc2-[#8])cc(-[#8])c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]
Show InChI InChI=1S/C25H32O4/c1-16(2)8-12-21-19(7-5-6-18-10-11-20(26)15-23(18)27)14-24(28)25(29)22(21)13-9-17(3)4/h8-11,14-15,26-29H,5-7,12-13H2,1-4H3
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770n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase using as L-DOPA substrate by Lineweaver-Burk plot based kinetic assay


Bioorg Med Chem 17: 35-41 (2008)


Article DOI: 10.1016/j.bmc.2008.11.022
BindingDB Entry DOI: 10.7270/Q2GH9HTH
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50241453
PNG
(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3
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800n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry


Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50254431
PNG
(5'-(2-methylbut-3-en-2-yl)-6''-(3-methylbut-2-enyl...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6]-[#6]-[#6]-c2cc(c(-[#8])cc2-[#8])C([#6])([#6])[#6]=[#6])cc(-[#8])c(-[#8])c1-[#6]-[#6]1-[#8]C1([#6])[#6]
Show InChI InChI=1S/C30H40O5/c1-8-29(4,5)23-14-20(24(31)17-25(23)32)11-9-10-19-15-26(33)28(34)22(16-27-30(6,7)35-27)21(19)13-12-18(2)3/h8,12,14-15,17,27,31-34H,1,9-11,13,16H2,2-7H3
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870n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase by kinetic based assay


Bioorg Med Chem 17: 35-41 (2008)


Article DOI: 10.1016/j.bmc.2008.11.022
BindingDB Entry DOI: 10.7270/Q2GH9HTH
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50278394
PNG
(CHEMBL469813 | Cudratricusxanthone F)
Show SMILES [#6]-[#8]-[#6]-1=[#6](-[#6]-2-[#8]-c3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c3-[#6](=O)-[#6]-2-[#6](=O)-[#6]-1)C([#6])([#6])[#6]=[#6] |t:2|
Show InChI InChI=1S/C24H28O6/c1-7-24(4,5)20-17(29-6)10-14(25)19-22(28)18-13(9-8-12(2)3)21(27)15(26)11-16(18)30-23(19)20/h7-8,11,19,23,26-27H,1,9-10H2,2-6H3
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950n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by Lineweaver-Burke plot and Dixon plot


Bioorg Med Chem 17: 2744-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.042
BindingDB Entry DOI: 10.7270/Q2V69KG5
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50442401
PNG
(CHEMBL2442947)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2occ(-c3ccc(-[#8])c(-[#8])c3)c(=O)c2c1-[#8]
Show InChI InChI=1S/C25H26O6/c1-13(2)5-8-16-22(28)17(9-6-14(3)4)25-21(23(16)29)24(30)18(12-31-25)15-7-10-19(26)20(27)11-15/h5-7,10-12,26-29H,8-9H2,1-4H3
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1.02E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as...


Bioorg Med Chem 21: 6398-404 (2013)


Article DOI: 10.1016/j.bmc.2013.08.049
BindingDB Entry DOI: 10.7270/Q2Z89DVN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50380205
PNG
(NYMPHAEOL A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#8])c1 |r|
Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/b15-7+/t22-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of equine BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot analysis


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50355211
PNG
(CHEMBL1835716)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1cc2-[#6@@H]-3-[#8]-c4c(cc(-[#6])c(-[#8])c4-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@@H]-3-[#6]-[#8]-c2cc1-[#8] |r|
Show InChI InChI=1S/C31H38O4/c1-18(2)8-7-9-20(5)11-12-22-15-25-28(16-27(22)32)34-17-26-24-14-21(6)29(33)23(13-10-19(3)4)30(24)35-31(25)26/h8,10-11,14-16,26,31-33H,7,9,12-13,17H2,1-6H3/b20-11+/t26-,31-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate by Linewe...


Bioorg Med Chem Lett 21: 6100-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.046
BindingDB Entry DOI: 10.7270/Q2C53M8X
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50355213
PNG
(CHEMBL1835792)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2-[#6]-3-[#8]-c4c(cc(-[#6])c(-[#8])c4-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-3-[#6]-[#8]-c2cc1-[#8]
Show InChI InChI=1S/C26H30O4/c1-14(2)6-8-17-11-20-23(12-22(17)27)29-13-21-19-10-16(5)24(28)18(9-7-15(3)4)25(19)30-26(20)21/h6-7,10-12,21,26-28H,8-9,13H2,1-5H3
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1.35E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate by Linewe...


Bioorg Med Chem Lett 21: 6100-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.046
BindingDB Entry DOI: 10.7270/Q2C53M8X
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50442399
PNG
(CHEMBL2442948)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c2-[#8]C([#6])([#6])[#6](=[#6]-c2c(-[#8])c2c1occ(-c1ccc(-[#8])c(-[#8])c1)c2=O)C([#6])([#6])[#6]=[#6] |c:11|
Show InChI InChI=1S/C30H32O6/c1-8-29(4,5)23-14-19-25(33)24-26(34)20(17-10-12-21(31)22(32)13-17)15-35-28(24)18(11-9-16(2)3)27(19)36-30(23,6)7/h8-10,12-15,31-33H,1,11H2,2-7H3
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1.36E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as...


Bioorg Med Chem 21: 6398-404 (2013)


Article DOI: 10.1016/j.bmc.2013.08.049
BindingDB Entry DOI: 10.7270/Q2Z89DVN
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM246524
PNG
(Psoralidin (5))
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2c3oc4cc(-[#8])ccc4c3c(=O)oc2cc1-[#8]
Show InChI InChI=1S/C20H16O5/c1-10(2)3-4-11-7-14-17(9-15(11)22)25-20(23)18-13-6-5-12(21)8-16(13)24-19(14)18/h3,5-9,21-22H,4H2,1-2H3
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1.70E+3n/a 4.20E+3n/an/an/an/a8.0n/a



Gyeongsang National University



Assay Description
Reactions were performed in a total volume of 200 mL, which contained thefollowing components: 20mM Tris-buffer, pH 8.0, 10mM DTT, 30 mM Z-RLRGG-AMC,...


J Enzyme Inhib Med Chem 29: 59-63 (2014)


Article DOI: 10.3109/14756366.2012.753591
BindingDB Entry DOI: 10.7270/Q21835FQ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50134710
PNG
(CHEMBL3745886)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6]-2-[#6]-[#8]-c3cc(-[#8])cc(-[#8])c3-[#6]-2=O)c1-[#8]
Show InChI InChI=1/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-12,19,26-29H,4,6,8,13H2,1-3H3/b15-7+
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1.80E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...


Bioorg Med Chem 24: 153-9 (2016)


BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
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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2.20E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant BACE-1 by Dixon plot analysis


Bioorg Med Chem Lett 21: 2945-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.060
BindingDB Entry DOI: 10.7270/Q2QR4XF7
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50278394
PNG
(CHEMBL469813 | Cudratricusxanthone F)
Show SMILES [#6]-[#8]-[#6]-1=[#6](-[#6]-2-[#8]-c3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c3-[#6](=O)-[#6]-2-[#6](=O)-[#6]-1)C([#6])([#6])[#6]=[#6] |t:2|
Show InChI InChI=1S/C24H28O6/c1-7-24(4,5)20-17(29-6)10-14(25)19-22(28)18-13(9-8-12(2)3)21(27)15(26)11-16(18)30-23(19)20/h7-8,11,19,23,26-27H,1,9-10H2,2-6H3
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2.23E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Apparent binding affinity at Clostridium perfringens neuraminidase by fluorimetry


Bioorg Med Chem 17: 2744-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.042
BindingDB Entry DOI: 10.7270/Q2V69KG5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50442401
PNG
(CHEMBL2442947)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2occ(-c3ccc(-[#8])c(-[#8])c3)c(=O)c2c1-[#8]
Show InChI InChI=1S/C25H26O6/c1-13(2)5-8-16-22(28)17(9-6-14(3)4)25-21(23(16)29)24(30)18(12-31-25)15-7-10-19(26)20(27)11-15/h5-7,10-12,26-29H,8-9H2,1-4H3
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2.50E+3n/an/an/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot


Bioorg Med Chem Lett 26: 318-21 (2016)


BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50311585
PNG
(CHEMBL455372 | Erythrabyssin II | erybraedin C)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2-[#6@@H]-3-[#8]-c4c(ccc(-[#8])c4-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@@H]-3-[#6]-[#8]-c2cc1-[#8] |r|
Show InChI InChI=1S/C25H28O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3/t20-,25-/m0/s1
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2.73E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate by Linewe...


Bioorg Med Chem Lett 21: 6100-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.046
BindingDB Entry DOI: 10.7270/Q2C53M8X
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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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
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM84968
PNG
(Urea derivative, 12)
Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)cc1O
Show InChI InChI=1S/C21H16F2N2O3/c22-15-6-9-18(17(23)12-15)25-21(28)24-16-7-3-13(4-8-16)1-2-14-5-10-19(26)20(27)11-14/h1-12,26-27H,(H2,24,25,28)/b2-1+
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3.20E+3n/a 8.40E+3n/an/an/an/an/an/a



Gyeongsang National University



Assay Description
All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...


Chembiochem 11: 2125-31 (2010)


Article DOI: 10.1002/cbic.201000376
BindingDB Entry DOI: 10.7270/Q2542M33
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50442397
PNG
(OSAJIN)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2c(occ(-c3ccc(-[#8])cc3)c2=O)c2-[#6]=[#6]C([#6])([#6])[#8]-c12 |c:25|
Show InChI InChI=1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3
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3.21E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as...


Bioorg Med Chem 21: 6398-404 (2013)


Article DOI: 10.1016/j.bmc.2013.08.049
BindingDB Entry DOI: 10.7270/Q2Z89DVN
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50250510
PNG
(CHEMBL462879 | GARCINONE D)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]-[#6]C([#6])([#6])[#8]
Show InChI InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3
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3.30E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry


Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50136569
PNG
(CHEMBL3754629)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6]-[#6](=O)-[#6]-2=[#6](-[#8])-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]3-[#8]C([#6])([#6])[#6]=[#6]C3([#6]\[#6]=[#6](\[#6])-[#6])[#6]-2=O)cc1 |c:10,24,t:18|
Show InChI InChI=1/C31H38O5/c1-20(2)8-14-24-27(33)26(25(32)15-11-22-9-12-23(35-7)13-10-22)28(34)31(17-16-21(3)4)19-18-30(5,6)36-29(24)31/h8-10,12-13,16,18-19,33H,11,14-15,17H2,1-7H3
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3.40E+3n/an/an/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot


Bioorg Med Chem Lett 26: 318-21 (2016)


BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
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