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Compile Data Set for Download or QSAR

Found 228 hits with Last Name = 'ko' and Initial = 'hh'   
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
Beta-glucuronidase


(Rattus norvegicus)
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 2.80E+3n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibitory effect of compound on the release of Beta-glucuronidase in rat neutrophils stimulated with fMLP/CB


Bioorg Med Chem Lett 14: 1011-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.074
BindingDB Entry DOI: 10.7270/Q2C829VG
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50335242
PNG
(3-Chloro-3'-((2-cyclopentyl-3-oxo-2,3-dihydrobenzo...)
Show SMILES OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1
Show InChI InChI=1S/C26H22ClNO4S/c27-23-11-8-18(13-22(23)26(30)31)17-5-3-4-16(12-17)15-32-20-9-10-21-24(14-20)33-28(25(21)29)19-6-1-2-7-19/h3-5,8-14,19H,1-2,6-7,15H2,(H,30,31)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes


J Med Chem 55: 9434-45 (2012)


Article DOI: 10.1021/jm3005306
BindingDB Entry DOI: 10.7270/Q2RX9D78
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Rattus norvegicus)
BDBM50142192
PNG
(3-(2,4-Dihydroxy-phenyl)-5,7-dihydroxy-chromen-4-o...)
Show SMILES Oc1ccc(c(O)c1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-6,16-19H
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n/an/a 5.90E+3n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibitory effect of compound on the release of Beta-glucuronidase in rat neutrophils stimulated with fMLP/CB


Bioorg Med Chem Lett 14: 1011-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.074
BindingDB Entry DOI: 10.7270/Q2C829VG
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50335242
PNG
(3-Chloro-3'-((2-cyclopentyl-3-oxo-2,3-dihydrobenzo...)
Show SMILES OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1
Show InChI InChI=1S/C26H22ClNO4S/c27-23-11-8-18(13-22(23)26(30)31)17-5-3-4-16(12-17)15-32-20-9-10-21-24(14-20)33-28(25(21)29)19-6-1-2-7-19/h3-5,8-14,19H,1-2,6-7,15H2,(H,30,31)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes


J Med Chem 55: 9434-45 (2012)


Article DOI: 10.1021/jm3005306
BindingDB Entry DOI: 10.7270/Q2RX9D78
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Rattus norvegicus)
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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n/an/a 7.80E+3n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibitory effect of compound on the release of Beta-glucuronidase in rat neutrophils stimulated with fMLP/CB


Bioorg Med Chem Lett 14: 1011-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.074
BindingDB Entry DOI: 10.7270/Q2C829VG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50335253
PNG
(4-Chloro-3'-((2-cyclopentyl-1-oxoisoindolin-5-ylox...)
Show SMILES OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
Show InChI InChI=1S/C27H24ClNO4/c28-25-11-8-19(14-24(25)27(31)32)18-5-3-4-17(12-18)16-33-22-9-10-23-20(13-22)15-29(26(23)30)21-6-1-2-7-21/h3-5,8-14,21H,1-2,6-7,15-16H2,(H,31,32)
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n/an/a 8.15E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of radioligand binding to human histamine H1 receptor


J Med Chem 55: 9434-45 (2012)


Article DOI: 10.1021/jm3005306
BindingDB Entry DOI: 10.7270/Q2RX9D78
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50335253
PNG
(4-Chloro-3'-((2-cyclopentyl-1-oxoisoindolin-5-ylox...)
Show SMILES OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
Show InChI InChI=1S/C27H24ClNO4/c28-25-11-8-19(14-24(25)27(31)32)18-5-3-4-17(12-18)16-33-22-9-10-23-20(13-22)15-29(26(23)30)21-6-1-2-7-21/h3-5,8-14,21H,1-2,6-7,15-16H2,(H,31,32)
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n/an/a 8.15E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of radioligand binding to human adrenergic alpha1a receptor


J Med Chem 55: 9434-45 (2012)


Article DOI: 10.1021/jm3005306
BindingDB Entry DOI: 10.7270/Q2RX9D78
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50335253
PNG
(4-Chloro-3'-((2-cyclopentyl-1-oxoisoindolin-5-ylox...)
Show SMILES OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
Show InChI InChI=1S/C27H24ClNO4/c28-25-11-8-19(14-24(25)27(31)32)18-5-3-4-17(12-18)16-33-22-9-10-23-20(13-22)15-29(26(23)30)21-6-1-2-7-21/h3-5,8-14,21H,1-2,6-7,15-16H2,(H,31,32)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes


J Med Chem 55: 9434-45 (2012)


Article DOI: 10.1021/jm3005306
BindingDB Entry DOI: 10.7270/Q2RX9D78
More data for this
Ligand-Target Pair
Lysozyme C-1


(Rattus norvegicus)
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibitory effect of compound on the release of lysozyme in rat neutrophils stimulated with fMLP/CB


Bioorg Med Chem Lett 14: 1011-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.074
BindingDB Entry DOI: 10.7270/Q2C829VG
More data for this
Ligand-Target Pair
Lysozyme C-1


(Rattus norvegicus)
BDBM50142192
PNG
(3-(2,4-Dihydroxy-phenyl)-5,7-dihydroxy-chromen-4-o...)
Show SMILES Oc1ccc(c(O)c1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-6,16-19H
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n/an/a 9.70E+3n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibitory effect of compound on the release of lysozyme in rat neutrophils stimulated with fMLP/CB


Bioorg Med Chem Lett 14: 1011-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.074
BindingDB Entry DOI: 10.7270/Q2C829VG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50017268
PNG
(CHEMBL3287723 | US10099993, Compound 96)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O
Show InChI InChI=1S/C25H32O7/c1-16-20(11-9-18(23(16)27)19(26)15-25(2,3)4)31-12-6-7-13-32-22-14-17(24(28)29)8-10-21(22)30-5/h8-11,14,27H,6-7,12-13,15H2,1-5H3,(H,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H4 receptor at 10 uM by radioligand displacement assay


J Med Chem 57: 4154-72 (2014)


Article DOI: 10.1021/jm5000563
BindingDB Entry DOI: 10.7270/Q2GH9KH9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50017268
PNG
(CHEMBL3287723 | US10099993, Compound 96)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O
Show InChI InChI=1S/C25H32O7/c1-16-20(11-9-18(23(16)27)19(26)15-25(2,3)4)31-12-6-7-13-32-22-14-17(24(28)29)8-10-21(22)30-5/h8-11,14,27H,6-7,12-13,15H2,1-5H3,(H,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H2 receptor at 10 uM by radioligand displacement assay


J Med Chem 57: 4154-72 (2014)


Article DOI: 10.1021/jm5000563
BindingDB Entry DOI: 10.7270/Q2GH9KH9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50017264
PNG
(CHEMBL3287718)
Show SMILES CCCC(=O)c1ccc(OCCCCOc2c(OC)cccc2C(O)=O)c(C)c1O
Show InChI InChI=1S/C23H28O7/c1-4-8-18(24)16-11-12-19(15(2)21(16)25)29-13-5-6-14-30-22-17(23(26)27)9-7-10-20(22)28-3/h7,9-12,25H,4-6,8,13-14H2,1-3H3,(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu4 receptor expressed in HEK293 cells


J Med Chem 57: 4154-72 (2014)


Article DOI: 10.1021/jm5000563
BindingDB Entry DOI: 10.7270/Q2GH9KH9
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50335253
PNG
(4-Chloro-3'-((2-cyclopentyl-1-oxoisoindolin-5-ylox...)
Show SMILES OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
Show InChI InChI=1S/C27H24ClNO4/c28-25-11-8-19(14-24(25)27(31)32)18-5-3-4-17(12-18)16-33-22-9-10-23-20(13-22)15-29(26(23)30)21-6-1-2-7-21/h3-5,8-14,21H,1-2,6-7,15-16H2,(H,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of radioligand binding to human adrenergic alpha1d receptor


J Med Chem 55: 9434-45 (2012)


Article DOI: 10.1021/jm3005306
BindingDB Entry DOI: 10.7270/Q2RX9D78
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50335242
PNG
(3-Chloro-3'-((2-cyclopentyl-3-oxo-2,3-dihydrobenzo...)
Show SMILES OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1
Show InChI InChI=1S/C26H22ClNO4S/c27-23-11-8-18(13-22(23)26(30)31)17-5-3-4-16(12-17)15-32-20-9-10-21-24(14-20)33-28(25(21)29)19-6-1-2-7-19/h3-5,8-14,19H,1-2,6-7,15H2,(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of radioligand binding to human histamine H1 receptor


J Med Chem 55: 9434-45 (2012)


Article DOI: 10.1021/jm3005306
BindingDB Entry DOI: 10.7270/Q2RX9D78
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50017264
PNG
(CHEMBL3287718)
Show SMILES CCCC(=O)c1ccc(OCCCCOc2c(OC)cccc2C(O)=O)c(C)c1O
Show InChI InChI=1S/C23H28O7/c1-4-8-18(24)16-11-12-19(15(2)21(16)25)29-13-5-6-14-30-22-17(23(26)27)9-7-10-20(22)28-3/h7,9-12,25H,4-6,8,13-14H2,1-3H3,(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu1 receptor expressed in HEK293 cells


J Med Chem 57: 4154-72 (2014)


Article DOI: 10.1021/jm5000563
BindingDB Entry DOI: 10.7270/Q2GH9KH9
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50335242
PNG
(3-Chloro-3'-((2-cyclopentyl-3-oxo-2,3-dihydrobenzo...)
Show SMILES OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1
Show InChI InChI=1S/C26H22ClNO4S/c27-23-11-8-18(13-22(23)26(30)31)17-5-3-4-16(12-17)15-32-20-9-10-21-24(14-20)33-28(25(21)29)19-6-1-2-7-19/h3-5,8-14,19H,1-2,6-7,15H2,(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of radioligand binding to human dopamine D1 receptor


J Med Chem 55: 9434-45 (2012)


Article DOI: 10.1021/jm3005306
BindingDB Entry DOI: 10.7270/Q2RX9D78
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Rattus norvegicus)
BDBM50077323
PNG
(7,4'-Dihydroxyflavone | 7-hydroxy-2-(4-hydroxyphen...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H
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n/an/a 1.37E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibitory effect of compound on the release of Beta-glucuronidase in rat neutrophils stimulated with fMLP/CB


Bioorg Med Chem Lett 14: 1011-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.074
BindingDB Entry DOI: 10.7270/Q2C829VG
More data for this
Ligand-Target Pair
Lysozyme C-1


(Rattus norvegicus)
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 1.77E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibitory effect of compound on the release of lysozyme in rat neutrophils stimulated with fMLP/CB


Bioorg Med Chem Lett 14: 1011-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.074
BindingDB Entry DOI: 10.7270/Q2C829VG
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50335242
PNG
(3-Chloro-3'-((2-cyclopentyl-3-oxo-2,3-dihydrobenzo...)
Show SMILES OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1
Show InChI InChI=1S/C26H22ClNO4S/c27-23-11-8-18(13-22(23)26(30)31)17-5-3-4-16(12-17)15-32-20-9-10-21-24(14-20)33-28(25(21)29)19-6-1-2-7-19/h3-5,8-14,19H,1-2,6-7,15H2,(H,30,31)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes


J Med Chem 55: 9434-45 (2012)


Article DOI: 10.1021/jm3005306
BindingDB Entry DOI: 10.7270/Q2RX9D78
More data for this
Ligand-Target Pair
Lysozyme C-1


(Rattus norvegicus)
BDBM50142193
PNG
(2'-hydroxydaidzein | 3-(2,4-dihydroxyphenyl)-7-hyd...)
Show SMILES Oc1ccc(c(O)c1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C15H10O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-7,16-18H
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n/an/a 2.63E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibitory effect of compound on the release of lysozyme in rat neutrophils stimulated with fMLP/CB


Bioorg Med Chem Lett 14: 1011-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.074
BindingDB Entry DOI: 10.7270/Q2C829VG
More data for this
Ligand-Target Pair
Lysozyme C-1


(Rattus norvegicus)
BDBM50142191
PNG
(5,7-Dihydroxy-3-(4-hydroxy-2-methoxy-phenyl)-chrom...)
Show SMILES COc1cc(O)ccc1-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O6/c1-21-13-5-8(17)2-3-10(13)11-7-22-14-6-9(18)4-12(19)15(14)16(11)20/h2-7,17-19H,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibitory effect of compound on the release of lysozyme in rat neutrophils stimulated with fMLP/CB


Bioorg Med Chem Lett 14: 1011-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.074
BindingDB Entry DOI: 10.7270/Q2C829VG
More data for this
Ligand-Target Pair
Lysozyme C-1


(Rattus norvegicus)
BDBM50077323
PNG
(7,4'-Dihydroxyflavone | 7-hydroxy-2-(4-hydroxyphen...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibitory effect of compound on the release of lysozyme in rat neutrophils stimulated with fMLP/CB


Bioorg Med Chem Lett 14: 1011-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.074
BindingDB Entry DOI: 10.7270/Q2C829VG
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Rattus norvegicus)
BDBM50142190
PNG
(2-((11bR,12R)-9-Hydroxy-5b,11b-dihydro-6H-3,7,12-t...)
Show SMILES C[C@](O)(CO)c1cc2c3O[C@@H]4[C@@H](COc5cc(O)ccc45)c3ccc2o1
Show InChI InChI=1S/C20H18O6/c1-20(23,9-21)17-7-13-15(25-17)5-4-11-14-8-24-16-6-10(22)2-3-12(16)19(14)26-18(11)13/h2-7,14,19,21-23H,8-9H2,1H3/t14-,19-,20-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibitory effect of compound on the release of Beta-glucuronidase in rat neutrophils stimulated with fMLP/CB


Bioorg Med Chem Lett 14: 1011-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.074
BindingDB Entry DOI: 10.7270/Q2C829VG
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Rattus norvegicus)
BDBM50142191
PNG
(5,7-Dihydroxy-3-(4-hydroxy-2-methoxy-phenyl)-chrom...)
Show SMILES COc1cc(O)ccc1-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O6/c1-21-13-5-8(17)2-3-10(13)11-7-22-14-6-9(18)4-12(19)15(14)16(11)20/h2-7,17-19H,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibitory effect of compound on the release of Beta-glucuronidase in rat neutrophils stimulated with fMLP/CB


Bioorg Med Chem Lett 14: 1011-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.074
BindingDB Entry DOI: 10.7270/Q2C829VG
More data for this
Ligand-Target Pair
Lysozyme C-1


(Rattus norvegicus)
BDBM50142190
PNG
(2-((11bR,12R)-9-Hydroxy-5b,11b-dihydro-6H-3,7,12-t...)
Show SMILES C[C@](O)(CO)c1cc2c3O[C@@H]4[C@@H](COc5cc(O)ccc45)c3ccc2o1
Show InChI InChI=1S/C20H18O6/c1-20(23,9-21)17-7-13-15(25-17)5-4-11-14-8-24-16-6-10(22)2-3-12(16)19(14)26-18(11)13/h2-7,14,19,21-23H,8-9H2,1H3/t14-,19-,20-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibitory effect of compound on the release of lysozyme in rat neutrophils stimulated with fMLP/CB


Bioorg Med Chem Lett 14: 1011-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.074
BindingDB Entry DOI: 10.7270/Q2C829VG
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Rattus norvegicus)
BDBM50366927
PNG
(CHEMBL1159471)
Show SMILES OC[C@H]1OC(Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21?/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibitory effect of compound on the release of Beta-glucuronidase in rat neutrophils stimulated with fMLP/CB


Bioorg Med Chem Lett 14: 1011-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.074
BindingDB Entry DOI: 10.7270/Q2C829VG
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Rattus norvegicus)
BDBM50142193
PNG
(2'-hydroxydaidzein | 3-(2,4-dihydroxyphenyl)-7-hyd...)
Show SMILES Oc1ccc(c(O)c1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C15H10O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-7,16-18H
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibitory effect of compound on the release of Beta-glucuronidase in rat neutrophils stimulated with fMLP/CB


Bioorg Med Chem Lett 14: 1011-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.074
BindingDB Entry DOI: 10.7270/Q2C829VG
More data for this
Ligand-Target Pair
Lysozyme C-1


(Rattus norvegicus)
BDBM50366927
PNG
(CHEMBL1159471)
Show SMILES OC[C@H]1OC(Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21?/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibitory effect of compound on the release of lysozyme in rat neutrophils stimulated with fMLP/CB


Bioorg Med Chem Lett 14: 1011-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.074
BindingDB Entry DOI: 10.7270/Q2C829VG
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50295965
PNG
(2,3,4'-Trihydroxy-4-methoxydeoxybenzoin | CHEMBL54...)
Show SMILES COc1ccc(C(=O)Cc2ccc(O)cc2)c(O)c1O
Show InChI InChI=1S/C15H14O5/c1-20-13-7-6-11(14(18)15(13)19)12(17)8-9-2-4-10(16)5-3-9/h2-7,16,18-19H,8H2,1H3
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n/an/a 4.31E+4n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 90 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50295965
PNG
(2,3,4'-Trihydroxy-4-methoxydeoxybenzoin | CHEMBL54...)
Show SMILES COc1ccc(C(=O)Cc2ccc(O)cc2)c(O)c1O
Show InChI InChI=1S/C15H14O5/c1-20-13-7-6-11(14(18)15(13)19)12(17)8-9-2-4-10(16)5-3-9/h2-7,16,18-19H,8H2,1H3
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n/an/a 4.34E+4n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 30 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50295965
PNG
(2,3,4'-Trihydroxy-4-methoxydeoxybenzoin | CHEMBL54...)
Show SMILES COc1ccc(C(=O)Cc2ccc(O)cc2)c(O)c1O
Show InChI InChI=1S/C15H14O5/c1-20-13-7-6-11(14(18)15(13)19)12(17)8-9-2-4-10(16)5-3-9/h2-7,16,18-19H,8H2,1H3
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n/an/a 4.61E+4n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 150 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50295964
PNG
(2,4,6-Trihydroxy-4'-methoxydeoxybenzoin | CHEMBL55...)
Show SMILES COc1ccc(CC(=O)c2c(O)cc(O)cc2O)cc1
Show InChI InChI=1S/C15H14O5/c1-20-11-4-2-9(3-5-11)6-12(17)15-13(18)7-10(16)8-14(15)19/h2-5,7-8,16,18-19H,6H2,1H3
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n/an/a 7.11E+4n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 30 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50295962
PNG
(1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanon...)
Show SMILES COc1ccc(CC(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H14O4/c1-19-12-5-2-10(3-6-12)8-14(17)13-7-4-11(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3
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n/an/a 7.89E+4n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 30 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50295969
PNG
(2,4,5-Trihydroxy-4'-methoxydeoxybenzoin | CHEMBL55...)
Show SMILES COc1ccc(CC(=O)c2cc(O)c(O)cc2O)cc1
Show InChI InChI=1S/C15H14O5/c1-20-10-4-2-9(3-5-10)6-12(16)11-7-14(18)15(19)8-13(11)17/h2-5,7-8,17-19H,6H2,1H3
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n/an/a 8.44E+4n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 30 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50295961
PNG
(2,4-Dihydroxy-3',4'-dimethoxydeoxybenzoin | CHEMBL...)
Show SMILES COc1ccc(CC(=O)c2ccc(O)cc2O)cc1OC
Show InChI InChI=1S/C16H16O5/c1-20-15-6-3-10(8-16(15)21-2)7-13(18)12-5-4-11(17)9-14(12)19/h3-6,8-9,17,19H,7H2,1-2H3
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n/an/a 1.12E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 30 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50295966
PNG
(2,3,4-Trihydroxy-3',4'-dimethoxydeoxybenzoin | CHE...)
Show SMILES COc1ccc(CC(=O)c2ccc(O)c(O)c2O)cc1OC
Show InChI InChI=1S/C16H16O6/c1-21-13-6-3-9(8-14(13)22-2)7-12(18)10-4-5-11(17)16(20)15(10)19/h3-6,8,17,19-20H,7H2,1-2H3
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n/an/a 1.32E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 90 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
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 1.33E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 30 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50166034
PNG
(1-(2,4-Dihydroxy-phenyl)-2-(4-hydroxy-phenyl)-etha...)
Show SMILES Oc1ccc(CC(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C14H12O4/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)18/h1-6,8,15-16,18H,7H2
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n/an/a 1.36E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 90 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50295966
PNG
(2,3,4-Trihydroxy-3',4'-dimethoxydeoxybenzoin | CHE...)
Show SMILES COc1ccc(CC(=O)c2ccc(O)c(O)c2O)cc1OC
Show InChI InChI=1S/C16H16O6/c1-21-13-6-3-9(8-14(13)22-2)7-12(18)10-4-5-11(17)16(20)15(10)19/h3-6,8,17,19-20H,7H2,1-2H3
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n/an/a 1.40E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 150 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50295969
PNG
(2,4,5-Trihydroxy-4'-methoxydeoxybenzoin | CHEMBL55...)
Show SMILES COc1ccc(CC(=O)c2cc(O)c(O)cc2O)cc1
Show InChI InChI=1S/C15H14O5/c1-20-10-4-2-9(3-5-10)6-12(16)11-7-14(18)15(19)8-13(11)17/h2-5,7-8,17-19H,6H2,1H3
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n/an/a 1.44E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 90 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50295962
PNG
(1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanon...)
Show SMILES COc1ccc(CC(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H14O4/c1-19-12-5-2-10(3-6-12)8-14(17)13-7-4-11(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3
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n/an/a 1.60E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 90 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50295960
PNG
(3,4-Dihydroxy-4'-methoxydeoxybenzoin | CHEMBL55018...)
Show SMILES COc1ccc(CC(=O)c2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C15H14O4/c1-19-12-5-2-10(3-6-12)8-14(17)11-4-7-13(16)15(18)9-11/h2-7,9,16,18H,8H2,1H3
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n/an/a 1.68E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 90 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50166034
PNG
(1-(2,4-Dihydroxy-phenyl)-2-(4-hydroxy-phenyl)-etha...)
Show SMILES Oc1ccc(CC(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C14H12O4/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)18/h1-6,8,15-16,18H,7H2
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n/an/a 1.72E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 150 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
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 1.76E+5n/an/an/an/an/an/a



Tajen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 30 mins


J Nat Prod 71: 1930-1933 (2008)


Article DOI: 10.1021/np800564z
BindingDB Entry DOI: 10.7270/Q2SB45TJ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50295960
PNG
(3,4-Dihydroxy-4'-methoxydeoxybenzoin | CHEMBL55018...)
Show SMILES COc1ccc(CC(=O)c2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C15H14O4/c1-19-12-5-2-10(3-6-12)8-14(17)11-4-7-13(16)15(18)9-11/h2-7,9,16,18H,8H2,1H3
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n/an/a 1.78E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 150 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50166034
PNG
(1-(2,4-Dihydroxy-phenyl)-2-(4-hydroxy-phenyl)-etha...)
Show SMILES Oc1ccc(CC(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C14H12O4/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)18/h1-6,8,15-16,18H,7H2
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n/an/a 1.78E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 30 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50295962
PNG
(1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanon...)
Show SMILES COc1ccc(CC(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H14O4/c1-19-12-5-2-10(3-6-12)8-14(17)13-7-4-11(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3
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n/an/a 1.81E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 150 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50295969
PNG
(2,4,5-Trihydroxy-4'-methoxydeoxybenzoin | CHEMBL55...)
Show SMILES COc1ccc(CC(=O)c2cc(O)c(O)cc2O)cc1
Show InChI InChI=1S/C15H14O5/c1-20-10-4-2-9(3-5-10)6-12(16)11-7-14(18)15(19)8-13(11)17/h2-5,7-8,17-19H,6H2,1H3
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n/an/a 1.97E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 150 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50295968
PNG
(2,3,4-Trihydroxy-4'-methoxydeoxybenzoin | CHEMBL26...)
Show SMILES COc1ccc(CC(=O)c2ccc(O)c(O)c2O)cc1
Show InChI InChI=1S/C15H14O5/c1-20-10-4-2-9(3-5-10)8-13(17)11-6-7-12(16)15(19)14(11)18/h2-7,16,18-19H,8H2,1H3
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n/an/a 2.03E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 90 mins by spectrophotometry


Bioorg Med Chem 17: 4360-6 (2009)


Article DOI: 10.1016/j.bmc.2009.05.019
BindingDB Entry DOI: 10.7270/Q28W3DC3
More data for this
Ligand-Target Pair
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