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Compile Data Set for Download or QSAR

Found 105 hits from AmorePacific Corporation   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 26.2n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50218963
PNG
(CHEMBL297626)
Show SMILES CC1(C)OC(=C(C1=O)c1cccc(Cl)c1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H17ClO4S/c1-19(2)18(21)16(13-5-4-6-14(20)11-13)17(24-19)12-7-9-15(10-8-12)25(3,22)23/h4-11H,1-3H3
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n/an/a 26.5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against prostaglandin G/H synthase 2 in mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 1757-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.048
BindingDB Entry DOI: 10.7270/Q2ZK5JVW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50218964
PNG
(CHEMBL44223)
Show SMILES CC1(C)OC(=C(C1=O)c1cc(F)cc(F)c1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H16F2O4S/c1-19(2)18(22)16(12-8-13(20)10-14(21)9-12)17(25-19)11-4-6-15(7-5-11)26(3,23)24/h4-10H,1-3H3
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n/an/a 52.9n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against prostaglandin G/H synthase 2 in mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 1757-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.048
BindingDB Entry DOI: 10.7270/Q2ZK5JVW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422587
PNG
(CHEMBL423892)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=S)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H15FO3S2/c1-28(24,25)17-12-8-15(9-13-17)21-20(14-6-10-16(23)11-7-14)22(27)18-4-2-3-5-19(18)26-21/h2-13H,1H3
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n/an/a 73.1n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422584
PNG
(CHEMBL69026)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccccc1F
Show InChI InChI=1S/C22H15FO4S/c1-28(25,26)15-12-10-14(11-13-15)22-20(16-6-2-4-8-18(16)23)21(24)17-7-3-5-9-19(17)27-22/h2-13H,1H3
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n/an/a 76.1n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330115
PNG
(2-(cyclohexylthiomethyl)-5-hydroxy-4H-pyran-4-one ...)
Show SMILES Oc1coc(CSC2CCCCC2)cc1=O
Show InChI InChI=1S/C12H16O3S/c13-11-6-9(15-7-12(11)14)8-16-10-4-2-1-3-5-10/h6-7,10,14H,1-5,8H2
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n/an/a 87n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330111
PNG
(5-hydroxy-2-(pentylthiomethyl)-4H-pyran-4-one | CH...)
Show SMILES CCCCCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C11H16O3S/c1-2-3-4-5-15-8-9-6-10(12)11(13)7-14-9/h6-7,13H,2-5,8H2,1H3
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n/an/a 97n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422578
PNG
(CHEMBL422623)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=S)c1-c1ccccc1
Show InChI InChI=1S/C22H16O3S2/c1-27(23,24)17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)22(26)18-9-5-6-10-19(18)25-21/h2-14H,1H3
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n/an/a 101n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422570
PNG
(CHEMBL435189)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccccc1
Show InChI InChI=1S/C21H15NO4S/c22-27(24,25)16-12-10-15(11-13-16)21-19(14-6-2-1-3-7-14)20(23)17-8-4-5-9-18(17)26-21/h1-13H,(H2,22,24,25)
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n/an/a 105n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422577
PNG
(CHEMBL133065)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc(F)cc1
Show InChI InChI=1S/C21H14FNO4S/c22-15-9-5-13(6-10-15)19-20(24)17-3-1-2-4-18(17)27-21(19)14-7-11-16(12-8-14)28(23,25)26/h1-12H,(H2,23,25,26)
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n/an/a 126n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422591
PNG
(CHEMBL133507)
Show SMILES COc1ccc(cc1)-c1c(oc2ccccc2c1=S)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H18O4S2/c1-26-17-11-7-15(8-12-17)21-22(16-9-13-18(14-10-16)29(2,24)25)27-20-6-4-3-5-19(20)23(21)28/h3-14H,1-2H3
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n/an/a 142n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50248158
PNG
(CHEMBL450195 | N-butylresorcinol | US8993596, 4-Bu...)
Show SMILES CCCCc1ccc(O)cc1O
Show InChI InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3
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n/an/a 150n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422586
PNG
(CHEMBL132721)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccccc1F
Show InChI InChI=1S/C21H14FNO4S/c22-17-7-3-1-5-15(17)19-20(24)16-6-2-4-8-18(16)27-21(19)13-9-11-14(12-10-13)28(23,25)26/h1-12H,(H2,23,25,26)
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n/an/a 177n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Saccharomyces cerevisiae S288c)
BDBM50153015
PNG
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/s2
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n/an/a 180n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330112
PNG
(2-(hexylthiomethyl)-5-hydroxy-4H-pyran-4-one | CHE...)
Show SMILES CCCCCCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C12H18O3S/c1-2-3-4-5-6-16-9-10-7-11(13)12(14)8-15-10/h7-8,14H,2-6,9H2,1H3
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n/an/a 190n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422590
PNG
(CHEMBL132190)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=S)c1-c1ccccc1F
Show InChI InChI=1S/C22H15FO3S2/c1-28(24,25)15-12-10-14(11-13-15)21-20(16-6-2-4-8-18(16)23)22(27)17-7-3-5-9-19(17)26-21/h2-13H,1H3
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AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422589
PNG
(CHEMBL134512)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H15FO4S/c1-28(25,26)17-12-8-15(9-13-17)22-20(14-6-10-16(23)11-7-14)21(24)18-4-2-3-5-19(18)27-22/h2-13H,1H3
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AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD)


(Homo sapiens (Human))
BDBM50153015
PNG
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/s2
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n/an/a 210n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of 6PGD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Saccharomyces cerevisiae S288c)
BDBM50236531
PNG
((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1
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n/an/a 230n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Saccharomyces cerevisiae S288c)
BDBM50135169
PNG
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Saccharomyces cerevisiae S288c)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/s2
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n/an/a 250n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422585
PNG
(CHEMBL134628)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H14Cl2O4S/c1-29(26,27)15-9-6-13(7-10-15)22-20(14-8-11-17(23)18(24)12-14)21(25)16-4-2-3-5-19(16)28-22/h2-12H,1H3
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n/an/a 269n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422571
PNG
(CHEMBL132562)
Show SMILES CSc1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H17NO4S2/c1-28-16-10-6-14(7-11-16)20-21(24)18-4-2-3-5-19(18)27-22(20)15-8-12-17(13-9-15)29(23,25)26/h2-13H,1H3,(H2,23,25,26)
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n/an/a 283n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422580
PNG
(CHEMBL334774)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1cc2ccccc2s1
Show InChI InChI=1S/C24H16O4S2/c1-30(26,27)17-12-10-15(11-13-17)24-22(21-14-16-6-2-5-9-20(16)29-21)23(25)18-7-3-4-8-19(18)28-24/h2-14H,1H3
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n/an/a 323n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422572
PNG
(CHEMBL336206)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H15ClO4S/c1-28(25,26)17-12-8-15(9-13-17)22-20(14-6-10-16(23)11-7-14)21(24)18-4-2-3-5-19(18)27-22/h2-13H,1H3
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n/an/a 340n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422576
PNG
(CHEMBL134756)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H14Cl2O4S/c1-29(26,27)15-9-6-13(7-10-15)22-20(16-11-8-14(23)12-18(16)24)21(25)17-4-2-3-5-19(17)28-22/h2-12H,1H3
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n/an/a 359n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422592
PNG
(CHEMBL133421)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1cccc(Cl)c1
Show InChI InChI=1S/C22H15ClO4S/c1-28(25,26)17-11-9-14(10-12-17)22-20(15-5-4-6-16(23)13-15)21(24)18-7-2-3-8-19(18)27-22/h2-13H,1H3
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n/an/a 365n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422568
PNG
(CHEMBL335024)
Show SMILES COc1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H17NO5S/c1-27-16-10-6-14(7-11-16)20-21(24)18-4-2-3-5-19(18)28-22(20)15-8-12-17(13-9-15)29(23,25)26/h2-13H,1H3,(H2,23,25,26)
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n/an/a 392n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422574
PNG
(CHEMBL133787)
Show SMILES COc1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H18O5S/c1-27-17-11-7-15(8-12-17)21-22(24)19-5-3-4-6-20(19)28-23(21)16-9-13-18(14-10-16)29(2,25)26/h3-14H,1-2H3
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n/an/a 516n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422588
PNG
(CHEMBL133660)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=S)c1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H14Cl2O3S2/c1-29(25,26)15-9-6-13(7-10-15)21-20(14-8-11-17(23)18(24)12-14)22(28)16-4-2-3-5-19(16)27-21/h2-12H,1H3
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n/an/a 520n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422573
PNG
(CHEMBL132371)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1cccc(F)c1
Show InChI InChI=1S/C22H15FO4S/c1-28(25,26)17-11-9-14(10-12-17)22-20(15-5-4-6-16(23)13-15)21(24)18-7-2-3-8-19(18)27-22/h2-13H,1H3
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n/an/a 532n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD)


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/s2
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n/an/a 720n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of 6PGD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50224241
PNG
(CHEMBL298888)
Show SMILES C[S+]([O-])c1ccc(cc1)C1=C(C(=O)C(C)(C)O1)c1cccc(Cl)c1
Show InChI InChI=1/C19H17ClO3S/c1-19(2)18(21)16(13-5-4-6-14(20)11-13)17(23-19)12-7-9-15(10-8-12)24(3)22/h4-11H,1-3H3
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n/an/a 831n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against prostaglandin G/H synthase 2 in mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 1757-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.048
BindingDB Entry DOI: 10.7270/Q2ZK5JVW
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50248201
PNG
(4-adamantyl resorcinol | CHEMBL474953)
Show SMILES Oc1ccc(c(O)c1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C16H20O2/c17-13-1-2-14(15(18)6-13)16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12,17-18H,3-5,7-9H2
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n/an/a 900n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422582
PNG
(CHEMBL334335)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H15NO6S/c23-30(25,26)15-8-5-13(6-9-15)22-20(14-7-10-18-19(11-14)28-12-27-18)21(24)16-3-1-2-4-17(16)29-22/h1-11H,12H2,(H2,23,25,26)
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n/an/a 925n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422575
PNG
(CHEMBL133659)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccccc1
Show InChI InChI=1S/C22H16O4S/c1-27(24,25)17-13-11-16(12-14-17)22-20(15-7-3-2-4-8-15)21(23)18-9-5-6-10-19(18)26-22/h2-14H,1H3
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n/an/a 929n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422581
PNG
(CHEMBL336354)
Show SMILES Cc1ccccc1-c1c(oc2ccccc2c1=O)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H18O4S/c1-15-7-3-4-8-18(15)21-22(24)19-9-5-6-10-20(19)27-23(21)16-11-13-17(14-12-16)28(2,25)26/h3-14H,1-2H3
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n/an/a 947n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422579
PNG
(CHEMBL307981)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccc(F)cc2c(=O)c1-c1cccnc1
Show InChI InChI=1S/C21H14FNO4S/c1-28(25,26)16-7-4-13(5-8-16)21-19(14-3-2-10-23-12-14)20(24)17-11-15(22)6-9-18(17)27-21/h2-12H,1H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD)


(Homo sapiens (Human))
BDBM50135169
PNG
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1
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n/an/a 1.28E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of 6PGD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422569
PNG
(CHEMBL72000)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1cccnc1
Show InChI InChI=1S/C21H15NO4S/c1-27(24,25)16-10-8-14(9-11-16)21-19(15-5-4-12-22-13-15)20(23)17-6-2-3-7-18(17)26-21/h2-13H,1H3
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n/an/a 1.32E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD)


(Homo sapiens (Human))
BDBM50236531
PNG
((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1
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n/an/a 1.45E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of 6PGD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330110
PNG
(2-(butylthiomethyl)-5-hydroxy-4H-pyran-4-one | CHE...)
Show SMILES CCCCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C10H14O3S/c1-2-3-4-14-7-8-5-9(11)10(12)6-13-8/h5-6,12H,2-4,7H2,1H3
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n/an/a 1.48E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330109
PNG
(5-hydroxy-2-(propylthiomethyl)-4H-pyran-4-one | CH...)
Show SMILES CCCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C9H12O3S/c1-2-3-13-6-7-4-8(10)9(11)5-12-7/h4-5,11H,2-3,6H2,1H3
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n/an/a 1.93E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422567
PNG
(CHEMBL334520)
Show SMILES COc1ccc(cn1)-c1c(oc2ccccc2c1=O)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H17NO5S/c1-27-19-12-9-15(13-23-19)20-21(24)17-5-3-4-6-18(17)28-22(20)14-7-10-16(11-8-14)29(2,25)26/h3-13H,1-2H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330108
PNG
(2-(ethylthiomethyl)-5-hydroxy-4H-pyran-4-one | CHE...)
Show SMILES CCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C8H10O3S/c1-2-12-5-6-3-7(9)8(10)4-11-6/h3-4,10H,2,5H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330113
PNG
(2-(heptylthiomethyl)-5-hydroxy-4H-pyran-4-one | CH...)
Show SMILES CCCCCCCSCc1cc(=O)c(O)co1
Show InChI InChI=1S/C13H20O3S/c1-2-3-4-5-6-7-17-10-11-8-12(14)13(15)9-16-11/h8-9,15H,2-7,10H2,1H3
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n/an/a 2.65E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6569-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.042
BindingDB Entry DOI: 10.7270/Q2QF8T4C
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50224242
PNG
(CHEMBL295497)
Show SMILES C[S+]([O-])c1ccc(cc1)C1=C(C(=O)C(C)(C)O1)c1cc(F)cc(F)c1
Show InChI InChI=1/C19H16F2O3S/c1-19(2)18(22)16(12-8-13(20)10-14(21)9-12)17(24-19)11-4-6-15(7-5-11)25(3)23/h4-10H,1-3H3
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n/an/a 2.75E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against prostaglandin G/H synthase 2 in mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 1757-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.048
BindingDB Entry DOI: 10.7270/Q2ZK5JVW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422583
PNG
(CHEMBL134774)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1cccc2ccccc12
Show InChI InChI=1S/C26H18O4S/c1-31(28,29)19-15-13-18(14-16-19)26-24(25(27)22-10-4-5-12-23(22)30-26)21-11-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3
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n/an/a 3.75E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50109690
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(4-hydroxy-phenyl)...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1
Show InChI InChI=1S/C15H14O6/c16-11-3-1-9(2-4-11)5-6-21-15(20)10-7-12(17)14(19)13(18)8-10/h1-4,7-8,16-19H,5-6H2
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n/an/a 4.93E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in Melan-a cells


Bioorg Med Chem Lett 17: 5462-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.032
BindingDB Entry DOI: 10.7270/Q2BZ65RK
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50095997
PNG
(3',4',7-trihydroxyisoflavone | CHEMBL13486)
Show SMILES Oc1ccc2c(c1)occ(-c1ccc(O)c(O)c1)c2=O
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H
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n/an/a 5.23E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse Melan-a cells by ELISA


Bioorg Med Chem Lett 20: 1162-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.021
BindingDB Entry DOI: 10.7270/Q2M045JZ
More data for this
Ligand-Target Pair
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