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Compile Data Set for Download or QSAR

Found 147 hits with Last Name = 'ryu' and Initial = 'hw'   
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))
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))
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
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)
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
Trans-sialidase


(Trypanosoma cruzi)
BDBM84698
PNG
(Quinolinone derivative, 9)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(\C(=C/c2ccc(O)c(O)c2)C(=O)c2ccccc12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C29H23NO7S/c1-17-6-10-20(11-7-17)38(36,37)30-23-5-3-2-4-21(23)29(35)22(14-18-8-12-24(31)26(33)15-18)28(30)19-9-13-25(32)27(34)16-19/h2-16,28,31-34H,1H3/b22-14+
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400 -37.7 600n/an/an/an/a7.635



University of British Columbia



Assay Description
Inhibition assay using trans-sialidase, a membrane-associated protein.


Chembiochem 10: 2475-9 (2009)


Article DOI: 10.1002/cbic.200900108
BindingDB Entry DOI: 10.7270/Q2MG7N10
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM67454
PNG
(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)
Show SMILES Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O
Show InChI InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
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422n/an/an/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1136-1140 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K5K
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
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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50233263
PNG
(CHEMBL594240)
Show SMILES Cn1ccc2c(c1)nc1ccccc21
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1.43E+3n/an/an/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1136-1140 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K5K
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50036514
PNG
(CHEMBL3353566)
Show SMILES CNc1ccccc1-c1nc(cs1)C(=O)OC
Show InChI InChI=1S/C12H12N2O2S/c1-13-9-6-4-3-5-8(9)11-14-10(7-17-11)12(15)16-2/h3-7,13H,1-2H3
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1.84E+3n/an/an/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1136-1140 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K5K
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)
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
Sialidase


(Clostridium perfringens)
BDBM50311743
PNG
(CHEMBL487992 | GARTANIN)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3c(-[#8])ccc(-[#8])c3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3
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3.60E+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
Trans-sialidase


(Trypanosoma cruzi)
BDBM50174833
PNG
(CHEMBL199442 | N-(3-(3-(3,4-dihydroxyphenyl)acrylo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H19NO5S/c1-15-5-9-19(10-6-15)29(27,28)23-18-4-2-3-17(14-18)20(24)11-7-16-8-12-21(25)22(26)13-16/h2-14,23,25-26H,1H3/b11-7+
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3.70E+3 -32.0 2.50E+3n/an/an/an/a7.635



University of British Columbia



Assay Description
Inhibition assay using trans-sialidase, a membrane-associated protein.


Chembiochem 10: 2475-9 (2009)


Article DOI: 10.1002/cbic.200900108
BindingDB Entry DOI: 10.7270/Q2MG7N10
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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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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50380201
PNG
(CHEMBL2011403)
Show SMILES [#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C26H30O8/c1-13(2)6-5-7-14(3)8-9-16-17(27)12-20-21(22(16)30)23(31)24(32)25(34-20)15-10-18(28)26(33-4)19(29)11-15/h6,8,10-12,24-25,27-30,32H,5,7,9H2,1-4H3/b14-8+/t24-,25?/m0/s1
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4.50E+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
Trans-sialidase


(Trypanosoma cruzi)
BDBM50174837
PNG
(4'-(p-toluenesulfonamide)-3,4-dihydroxy chalcone |...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H19NO5S/c1-15-2-10-19(11-3-15)29(27,28)23-18-8-6-17(7-9-18)20(24)12-4-16-5-13-21(25)22(26)14-16/h2-14,23,25-26H,1H3/b12-4+
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4.60E+3 -31.5 900n/an/an/an/a7.635



University of British Columbia



Assay Description
Inhibition assay using trans-sialidase, a membrane-associated protein.


Chembiochem 10: 2475-9 (2009)


Article DOI: 10.1002/cbic.200900108
BindingDB Entry DOI: 10.7270/Q2MG7N10
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM84969
PNG
(Urea derivative, 13)
Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1O
Show InChI InChI=1S/C21H17ClN2O3/c22-16-6-10-18(11-7-16)24-21(27)23-17-8-3-14(4-9-17)1-2-15-5-12-19(25)20(26)13-15/h1-13,25-26H,(H2,23,24,27)/b2-1+
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4.60E+3n/a 1.43E+4n/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)
BDBM50214969
PNG
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
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5.80E+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
Sialidase


(Clostridium perfringens)
BDBM50311741
PNG
(1,6-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-6',...)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] |c:15|
Show InChI InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3
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5.90E+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
Sialidase


(Clostridium perfringens)
BDBM50325676
PNG
(CHEMBL1224250 | mangostanol)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6](-[#8])-[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C24H26O7/c1-11(2)6-7-12-19-16(9-14(25)23(12)29-5)30-17-10-15-13(21(27)20(17)22(19)28)8-18(26)24(3,4)31-15/h6,9-10,18,25-27H,7-8H2,1-5H3
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6.50E+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
Sialidase


(Clostridium perfringens)
BDBM50325678
PNG
(4,8,10-trihydroxy-9-(3-methylbut-2-enyl)-2-(prop-1...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c4-[#8]-[#6](-[#6]-c4c3c(=O)c2c1-[#8])-[#6](-[#6])=[#6]
Show InChI InChI=1S/C23H22O6/c1-10(2)5-6-12-14(24)8-18-20(21(12)26)22(27)19-13-7-16(11(3)4)29-23(13)15(25)9-17(19)28-18/h5,8-9,16,24-26H,3,6-7H2,1-2,4H3
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6.80E+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
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM84967
PNG
(Urea derivative, 11)
Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc1O
Show InChI InChI=1S/C21H17FN2O3/c22-16-6-10-18(11-7-16)24-21(27)23-17-8-3-14(4-9-17)1-2-15-5-12-19(25)20(26)13-15/h1-13,25-26H,(H2,23,24,27)/b2-1+
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7.20E+3n/a 1.98E+4n/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)
BDBM50325677
PNG
(4,8-dihydroxy-7-methoxy-6-(3-methylbut-2-enyl)-2-(...)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]-[#6](-[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#6])=[#6]
Show InChI InChI=1S/C24H24O6/c1-11(2)6-7-13-20-18(9-15(25)24(13)28-5)30-19-10-17-14(8-16(29-17)12(3)4)22(26)21(19)23(20)27/h6,9-10,16,25-26H,3,7-8H2,1-2,4-5H3
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7.60E+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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50380204
PNG
(CHEMBL2011405)
Show SMILES [#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-9-17-18(27)12-23-24(25(17)31)19(28)13-22(33-23)16-10-20(29)26(32-4)21(30)11-16/h6,8,10-12,22,27,29-31H,5,7,9,13H2,1-4H3/b15-8+
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7.60E+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
Cholinesterases


(Homo sapiens (Human))
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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8.40E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot ...


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
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM84972
PNG
(Urea derivative, 16)
Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)cc1
Show InChI InChI=1S/C21H16F2N2O2/c22-16-7-12-20(19(23)13-16)25-21(27)24-17-8-3-14(4-9-17)1-2-15-5-10-18(26)11-6-15/h1-13,26H,(H2,24,25,27)/b2-1+
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9.40E+3n/a 1.85E+4n/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
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM84963
PNG
(Urea derivative, 7)
Show SMILES COc1ccc(NC(=O)Nc2ccc(\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C22H20N2O4/c1-28-19-11-9-18(10-12-19)24-22(27)23-17-7-4-15(5-8-17)2-3-16-6-13-20(25)21(26)14-16/h2-14,25-26H,1H3,(H2,23,24,27)/b3-2+
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1.05E+4n/a 1.95E+4n/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
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM84962
PNG
(Urea derivative, 6)
Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccccc3)cc2)cc1O
Show InChI InChI=1S/C21H18N2O3/c24-19-13-10-16(14-20(19)25)7-6-15-8-11-18(12-9-15)23-21(26)22-17-4-2-1-3-5-17/h1-14,24-25H,(H2,22,23,26)/b7-6+
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1.06E+4n/a 4.21E+4n/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
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
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM84966
PNG
(Urea derivative, 10)
Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)cc1O
Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)16-6-10-18(11-7-16)27-21(30)26-17-8-3-14(4-9-17)1-2-15-5-12-19(28)20(29)13-15/h1-13,28-29H,(H2,26,27,30)/b2-1+
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1.21E+4n/a 2.88E+4n/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
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
Sialidase


(Clostridium perfringens)
BDBM50311742
PNG
(8-DEOXYGARTANIN | 8-desoxygartanin | CHEMBL488606)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3c(-[#8])cccc3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3
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1.55E+4n/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))
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
Cholinesterases


(Homo sapiens (Human))
BDBM50380201
PNG
(CHEMBL2011403)
Show SMILES [#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C26H30O8/c1-13(2)6-5-7-14(3)8-9-16-17(27)12-20-21(22(16)30)23(31)24(32)25(34-20)15-10-18(28)26(33-4)19(29)11-15/h6,8,10-12,24-25,27-30,32H,5,7,9H2,1-4H3/b14-8+/t24-,25?/m0/s1
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1.69E+4n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot ...


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
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM84970
PNG
(Urea derivative, 14)
Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccccc3)cc2)cc1
Show InChI InChI=1S/C21H18N2O2/c24-20-14-10-17(11-15-20)7-6-16-8-12-19(13-9-16)23-21(25)22-18-4-2-1-3-5-18/h1-15,24H,(H2,22,23,25)/b7-6+
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1.70E+4n/a 2.91E+4n/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
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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1.80E+4n/a 3.95E+4n/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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50380200
PNG
(CHEMBL459258)
Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-[#6@H]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-10-17-19(28)13-21-22(23(17)29)24(30)25(31)26(33-21)16-9-11-18(27)20(12-16)32-4/h6,8-9,11-13,25-29,31H,5,7,10H2,1-4H3/b15-8+/t25-,26+/m0/s1
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1.82E+4n/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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50380199
PNG
(CHEMBL2011402)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8])-[#6@H]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-10-17-18(27)13-21-22(23(17)29)24(30)25(31)26(33-21)16-9-11-20(32-4)19(28)12-16/h6,8-9,11-13,25-29,31H,5,7,10H2,1-4H3/b15-8+/t25-,26+/m0/s1
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1.87E+4n/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
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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2.15E+4n/a 2.64E+4n/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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50380198
PNG
(BONANNIONE 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])cc1 |r|
Show InChI InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+/t22-/m0/s1
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2.22E+4n/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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50380202
PNG
(CHEMBL2011404)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-10-18-19(27)13-24-25(26(18)30)21(29)14-23(32-24)17-9-11-22(31-4)20(28)12-17/h6,8-9,11-13,23,27-28,30H,5,7,10,14H2,1-4H3/b16-8+/t23-/m0/s1
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2.35E+4n/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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50380203
PNG
(CHEMBL253152)
Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-10-18-20(28)13-24-25(26(18)30)21(29)14-22(32-24)17-9-11-19(27)23(12-17)31-4/h6,8-9,11-13,22,27-28,30H,5,7,10,14H2,1-4H3/b16-8+/t22-/m0/s1
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2.36E+4n/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)
BDBM50241454
PNG
(1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...)
Show SMILES [#6]-[#8]-c1cc2oc3cc(-[#8])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3
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2.49E+4n/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))
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
Cholinesterases


(Homo sapiens (Human))
BDBM50380204
PNG
(CHEMBL2011405)
Show SMILES [#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-9-17-18(27)12-23-24(25(17)31)19(28)13-22(33-23)16-10-20(29)26(32-4)21(30)11-16/h6,8,10-12,22,27,29-31H,5,7,9,13H2,1-4H3/b15-8+
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3.01E+4n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot ...


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
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