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Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'seo' and Initial = 'wd'   
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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50481948
PNG
(Iguesterin | acs.jmedchem.1c00409_ST.224)
Show SMILES [H][C@@]12CC(C)=CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C |r,c:4,24,t:14,16,19|
Show InChI InChI=1S/C28H36O2/c1-17-9-10-25(3)11-13-27(5)22-8-7-19-18(2)24(30)21(29)16-20(19)26(22,4)12-14-28(27,6)23(25)15-17/h7-9,16,23,30H,10-15H2,1-6H3/t23-,25-,26+,27-,28+/m1/s1
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800n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plot


Bioorg Med Chem Lett 20: 1873-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.152
BindingDB Entry DOI: 10.7270/Q28P63CF
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50481947
PNG
(CHEBI:8416 | GNF-Pf-476 | PRISTIMERIN | Pristimeri...)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OC |r,c:24,t:14,16,19|
Show InChI InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1
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3.10E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plot


Bioorg Med Chem Lett 20: 1873-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.152
BindingDB Entry DOI: 10.7270/Q28P63CF
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50071055
PNG
((6bS,8aS,11R,12aR,12bS,14aR)-3-Hydroxy-4,6b,8a,11,...)
Show SMILES C[C@@H]1C[C@@H]2[C@@](C)(CC[C@]3(C)C4=CC=c5c(cc(O)c(O)c5=C)[C@]4(C)CC[C@@]23C)CC1=O |r,c:12,t:10|
Show InChI InChI=1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,29,31H,2,9-13,15H2,1,3-6H3/t16-,23-,25+,26+,27-,28+/m1/s1
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4.00E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plot


Bioorg Med Chem Lett 20: 1873-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.152
BindingDB Entry DOI: 10.7270/Q28P63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50071058
PNG
((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|
Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
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4.20E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plot


Bioorg Med Chem Lett 20: 1873-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.152
BindingDB Entry DOI: 10.7270/Q28P63CF
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(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
Polyphenol oxidase 2


(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
Polyphenol oxidase 2


(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
Polyphenol oxidase 2


(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
Polyphenol oxidase 2


(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
Polyphenol oxidase 2


(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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50481948
PNG
(Iguesterin | acs.jmedchem.1c00409_ST.224)
Show SMILES [H][C@@]12CC(C)=CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C |r,c:4,24,t:14,16,19|
Show InChI InChI=1S/C28H36O2/c1-17-9-10-25(3)11-13-27(5)22-8-7-19-18(2)24(30)21(29)16-20(19)26(22,4)12-14-28(27,6)23(25)15-17/h7-9,16,23,30H,10-15H2,1-6H3/t23-,25-,26+,27-,28+/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins


Bioorg Med Chem Lett 20: 1873-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.152
BindingDB Entry DOI: 10.7270/Q28P63CF
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50481947
PNG
(CHEBI:8416 | GNF-Pf-476 | PRISTIMERIN | Pristimeri...)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OC |r,c:24,t:14,16,19|
Show InChI InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins


Bioorg Med Chem Lett 20: 1873-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.152
BindingDB Entry DOI: 10.7270/Q28P63CF
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50071055
PNG
((6bS,8aS,11R,12aR,12bS,14aR)-3-Hydroxy-4,6b,8a,11,...)
Show SMILES C[C@@H]1C[C@@H]2[C@@](C)(CC[C@]3(C)C4=CC=c5c(cc(O)c(O)c5=C)[C@]4(C)CC[C@@]23C)CC1=O |r,c:12,t:10|
Show InChI InChI=1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,29,31H,2,9-13,15H2,1,3-6H3/t16-,23-,25+,26+,27-,28+/m1/s1
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n/an/a 9.90E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins


Bioorg Med Chem Lett 20: 1873-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.152
BindingDB Entry DOI: 10.7270/Q28P63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50071058
PNG
((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|
Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
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n/an/a 1.03E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins


Bioorg Med Chem Lett 20: 1873-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.152
BindingDB Entry DOI: 10.7270/Q28P63CF
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(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
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50031467
PNG
(5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...)
Show SMILES OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
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n/an/a 1.63E+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
Alpha-amylase


(Bacillus licheniformis)
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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n/an/a 1.68E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Bacillus licheniformis alpha amylase


Bioorg Med Chem Lett 15: 5514-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.087
BindingDB Entry DOI: 10.7270/Q2FX7B6F
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50481949
PNG
(Dihydrocelastrol | acs.jmedchem.1c00409_ST.616)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CCc4c(C)c(O)c(O)cc4[C@]3(C)CC[C@@]21C)C(O)=O |r,t:14|
Show InChI InChI=1S/C29H40O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h8,15,22,30-31H,7,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
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n/an/a 2.17E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins


Bioorg Med Chem Lett 20: 1873-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.152
BindingDB Entry DOI: 10.7270/Q28P63CF
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(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
Polyphenol oxidase 2


(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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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n/an/a 2.35E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins


Bioorg Med Chem Lett 20: 1873-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.152
BindingDB Entry DOI: 10.7270/Q28P63CF
More data for this
Ligand-Target Pair
Beta-amylase


(Hordeum vulgare)
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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n/an/a 2.48E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibitory activity against barley beta amylase


Bioorg Med Chem Lett 15: 5514-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.087
BindingDB Entry DOI: 10.7270/Q2FX7B6F
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(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
Polyphenol oxidase 2


(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
Alpha-amylase


(Bacillus licheniformis)
BDBM50174834
PNG
(CHEMBL382280 | N-(3-(3-(4-hydroxyphenyl)acryloyl)p...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C22H19NO4S/c1-16-5-12-21(13-6-16)28(26,27)23-19-4-2-3-18(15-19)22(25)14-9-17-7-10-20(24)11-8-17/h2-15,23-24H,1H3/b14-9+
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n/an/a 3.73E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Bacillus licheniformis alpha amylase


Bioorg Med Chem Lett 15: 5514-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.087
BindingDB Entry DOI: 10.7270/Q2FX7B6F
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(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
Beta-amylase


(Hordeum vulgare)
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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n/an/a 6.50E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibitory activity against barley beta amylase


Bioorg Med Chem Lett 15: 5514-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.087
BindingDB Entry DOI: 10.7270/Q2FX7B6F
More data for this
Ligand-Target Pair
Alpha-amylase


(Bacillus licheniformis)
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 8.78E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Bacillus licheniformis alpha amylase


Bioorg Med Chem Lett 15: 5514-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.087
BindingDB Entry DOI: 10.7270/Q2FX7B6F
More data for this
Ligand-Target Pair
Beta-amylase


(Hordeum vulgare)
BDBM50174838
PNG
(1-(4-aminophenyl)-3-(3,4-dihydroxyphenyl)prop-2-en...)
Show SMILES Nc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H13NO3/c16-12-5-3-11(4-6-12)13(17)7-1-10-2-8-14(18)15(19)9-10/h1-9,18-19H,16H2/b7-1+
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n/an/a 1.27E+5n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibitory activity against barley beta amylase


Bioorg Med Chem Lett 15: 5514-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.087
BindingDB Entry DOI: 10.7270/Q2FX7B6F
More data for this
Ligand-Target Pair
Alpha-amylase


(Bacillus licheniformis)
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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n/an/a 1.94E+5n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Bacillus licheniformis alpha amylase


Bioorg Med Chem Lett 15: 5514-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.087
BindingDB Entry DOI: 10.7270/Q2FX7B6F
More data for this
Ligand-Target Pair
Beta-amylase


(Hordeum vulgare)
BDBM50174834
PNG
(CHEMBL382280 | N-(3-(3-(4-hydroxyphenyl)acryloyl)p...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C22H19NO4S/c1-16-5-12-21(13-6-16)28(26,27)23-19-4-2-3-18(15-19)22(25)14-9-17-7-10-20(24)11-8-17/h2-15,23-24H,1H3/b14-9+
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n/an/a 2.01E+5n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibitory activity against barley beta amylase


Bioorg Med Chem Lett 15: 5514-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.087
BindingDB Entry DOI: 10.7270/Q2FX7B6F
More data for this
Ligand-Target Pair
Beta-amylase


(Hordeum vulgare)
BDBM50174836
PNG
(1-(3-aminophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-o...)
Show SMILES Nc1cccc(c1)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C15H13NO2/c16-13-3-1-2-12(10-13)15(18)9-6-11-4-7-14(17)8-5-11/h1-10,17H,16H2/b9-6+
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n/an/a 2.07E+5n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibitory activity against barley beta amylase


Bioorg Med Chem Lett 15: 5514-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.087
BindingDB Entry DOI: 10.7270/Q2FX7B6F
More data for this
Ligand-Target Pair
Beta-amylase


(Hordeum vulgare)
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 2.47E+5n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibitory activity against barley beta amylase


Bioorg Med Chem Lett 15: 5514-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.087
BindingDB Entry DOI: 10.7270/Q2FX7B6F
More data for this
Ligand-Target Pair
Alpha-amylase


(Bacillus licheniformis)
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 2.69E+5n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Bacillus licheniformis alpha amylase


Bioorg Med Chem Lett 15: 5514-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.087
BindingDB Entry DOI: 10.7270/Q2FX7B6F
More data for this
Ligand-Target Pair