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PubMed code 19041241

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50254327
PNG
(2-(2,4-dimethoxyphenyl)-6-(4-oxo-2-phenyl-4H-chrom...)
Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccccc3)ccc2o1
Show InChI InChI=1S/C32H22O7/c1-35-20-8-12-24(30(15-20)36-2)32-18-27(34)25-14-21(10-13-28(25)38-32)37-22-9-11-23-26(33)17-29(39-31(23)16-22)19-6-4-3-5-7-19/h3-18H,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by ELISA

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50254381
PNG
(2-(4-methoxyphenyl)-6-(4-oxo-2-phenyl-4H-chromen-7...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccccc3)ccc2o1
Show InChI InChI=1S/C31H20O6/c1-34-21-9-7-20(8-10-21)30-18-27(33)25-15-22(12-14-28(25)36-30)35-23-11-13-24-26(32)17-29(37-31(24)16-23)19-5-3-2-4-6-19/h2-18H,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by ELISA

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50253965
PNG
(2-(4-hydroxyphenyl)-7-(2-(2-hydroxyphenyl)-4-oxo-4...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccc(Oc3ccc4oc(cc(=O)c4c3)-c3ccccc3O)cc2o1
Show InChI InChI=1S/C30H18O7/c31-18-7-5-17(6-8-18)28-15-25(33)22-11-9-20(14-29(22)37-28)35-19-10-12-27-23(13-19)26(34)16-30(36-27)21-3-1-2-4-24(21)32/h1-16,31-32H
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n/an/a 1.00E+4n/an/an/an/an/an/a



Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells by Griess method

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50254380
PNG
(6,7'-oxybis(2-(2,4-dihydroxyphenyl)-4H-chromen-4-o...)
Show SMILES Oc1ccc(c(O)c1)-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccc(O)cc3O)ccc2o1
Show InChI InChI=1S/C30H18O9/c31-15-1-5-19(23(33)9-15)29-14-26(36)22-11-17(4-8-27(22)38-29)37-18-3-7-21-25(35)13-30(39-28(21)12-18)20-6-2-16(32)10-24(20)34/h1-14,31-34H
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n/an/a 1.00E+4n/an/an/an/an/an/a



Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells by Griess method

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50254380
PNG
(6,7'-oxybis(2-(2,4-dihydroxyphenyl)-4H-chromen-4-o...)
Show SMILES Oc1ccc(c(O)c1)-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccc(O)cc3O)ccc2o1
Show InChI InChI=1S/C30H18O9/c31-15-1-5-19(23(33)9-15)29-14-26(36)22-11-17(4-8-27(22)38-29)37-18-3-7-21-25(35)13-30(39-28(21)12-18)20-6-2-16(32)10-24(20)34/h1-14,31-34H
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Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by ELISA

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50254422
PNG
(2-(2,4-dihydroxyphenyl)-7-(2-(4-hydroxyphenyl)-4-o...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccc(O)cc3O)ccc2o1
Show InChI InChI=1S/C30H18O8/c31-17-3-1-16(2-4-17)28-14-26(35)23-12-19(7-10-27(23)37-28)36-20-6-9-22-25(34)15-30(38-29(22)13-20)21-8-5-18(32)11-24(21)33/h1-15,31-33H
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Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by ELISA

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50254383
PNG
(2-(2,4-dimethoxyphenyl)-7-(2-(4-methoxyphenyl)-4-o...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccc(OC)cc3OC)ccc2o1
Show InChI InChI=1S/C33H24O8/c1-36-20-6-4-19(5-7-20)30-17-28(35)26-14-22(10-13-29(26)40-30)39-23-9-11-24-27(34)18-33(41-32(24)16-23)25-12-8-21(37-2)15-31(25)38-3/h4-18H,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells by Griess method

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50254329
PNG
(2-(2,4-dimethoxyphenyl)-6-(2-(4-methoxyphenyl)-4-o...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2ccc(Oc3ccc4oc(cc(=O)c4c3)-c3ccc(OC)cc3OC)cc2o1
Show InChI InChI=1S/C33H24O8/c1-36-20-6-4-19(5-7-20)30-17-27(34)24-11-9-23(16-32(24)41-30)39-22-10-13-29-26(14-22)28(35)18-33(40-29)25-12-8-21(37-2)15-31(25)38-3/h4-18H,1-3H3
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Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells by Griess method

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50254330
PNG
(2-(2,4-dihydroxyphenyl)-6-(2-(4-hydroxyphenyl)-4-o...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccc(Oc3ccc4oc(cc(=O)c4c3)-c3ccc(O)cc3O)cc2o1
Show InChI InChI=1S/C30H18O8/c31-17-3-1-16(2-4-17)28-14-25(34)22-9-6-20(13-29(22)38-28)36-19-7-10-27-23(12-19)26(35)15-30(37-27)21-8-5-18(32)11-24(21)33/h1-15,31-33H
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Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by ELISA

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50254422
PNG
(2-(2,4-dihydroxyphenyl)-7-(2-(4-hydroxyphenyl)-4-o...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccc(O)cc3O)ccc2o1
Show InChI InChI=1S/C30H18O8/c31-17-3-1-16(2-4-17)28-14-26(35)23-12-19(7-10-27(23)37-28)36-20-6-9-22-25(34)15-30(38-29(22)13-20)21-8-5-18(32)11-24(21)33/h1-15,31-33H
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Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells by Griess method

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50254331
PNG
(6,7'-oxybis(2-(2,4-dimethoxyphenyl)-4H-chromen-4-o...)
Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccc(OC)cc3OC)ccc2o1
Show InChI InChI=1S/C34H26O9/c1-37-19-5-10-24(30(14-19)39-3)33-18-28(36)26-13-21(8-12-29(26)42-33)41-22-7-9-23-27(35)17-34(43-32(23)16-22)25-11-6-20(38-2)15-31(25)40-4/h5-18H,1-4H3
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Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells by Griess method

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50254383
PNG
(2-(2,4-dimethoxyphenyl)-7-(2-(4-methoxyphenyl)-4-o...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccc(OC)cc3OC)ccc2o1
Show InChI InChI=1S/C33H24O8/c1-36-20-6-4-19(5-7-20)30-17-28(35)26-14-22(10-13-29(26)40-30)39-23-9-11-24-27(34)18-33(41-32(24)16-23)25-12-8-21(37-2)15-31(25)38-3/h4-18H,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by ELISA

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50254329
PNG
(2-(2,4-dimethoxyphenyl)-6-(2-(4-methoxyphenyl)-4-o...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2ccc(Oc3ccc4oc(cc(=O)c4c3)-c3ccc(OC)cc3OC)cc2o1
Show InChI InChI=1S/C33H24O8/c1-36-20-6-4-19(5-7-20)30-17-27(34)24-11-9-23(16-32(24)41-30)39-22-10-13-29-26(14-22)28(35)18-33(40-29)25-12-8-21(37-2)15-31(25)38-3/h4-18H,1-3H3
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Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by ELISA

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50254382
PNG
(6,7'-oxybis(2-(4-hydroxyphenyl)-4H-chromen-4-one) ...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccc(O)cc3)ccc2o1
Show InChI InChI=1S/C30H18O7/c31-19-5-1-17(2-6-19)28-16-26(34)24-13-21(10-12-27(24)36-28)35-22-9-11-23-25(33)15-29(37-30(23)14-22)18-3-7-20(32)8-4-18/h1-16,31-32H
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Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by ELISA

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50253965
PNG
(2-(4-hydroxyphenyl)-7-(2-(2-hydroxyphenyl)-4-oxo-4...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccc(Oc3ccc4oc(cc(=O)c4c3)-c3ccccc3O)cc2o1
Show InChI InChI=1S/C30H18O7/c31-18-7-5-17(6-8-18)28-15-25(33)22-11-9-20(14-29(22)37-28)35-19-10-12-27-23(13-19)26(34)16-30(36-27)21-3-1-2-4-24(21)32/h1-16,31-32H
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Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by ELISA

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50254423
PNG
(2-(2-methoxyphenyl)-6-(4-oxo-2-phenyl-4H-chromen-7...)
Show SMILES COc1ccccc1-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccccc3)ccc2o1
Show InChI InChI=1S/C31H20O6/c1-34-27-10-6-5-9-23(27)31-18-26(33)24-15-20(12-14-28(24)36-31)35-21-11-13-22-25(32)17-29(37-30(22)16-21)19-7-3-2-4-8-19/h2-18H,1H3
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Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by ELISA

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50254285
PNG
(6,7'-oxybis(2-phenyl-4H-chromen-4-one) | CHEMBL466...)
Show SMILES O=c1cc(oc2cc(Oc3ccc4oc(cc(=O)c4c3)-c3ccccc3)ccc12)-c1ccccc1
Show InChI InChI=1S/C30H18O5/c31-25-17-29(20-9-5-2-6-10-20)35-30-16-22(11-13-23(25)30)33-21-12-14-27-24(15-21)26(32)18-28(34-27)19-7-3-1-4-8-19/h1-18H
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Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells by Griess method

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50254330
PNG
(2-(2,4-dihydroxyphenyl)-6-(2-(4-hydroxyphenyl)-4-o...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccc(Oc3ccc4oc(cc(=O)c4c3)-c3ccc(O)cc3O)cc2o1
Show InChI InChI=1S/C30H18O8/c31-17-3-1-16(2-4-17)28-14-25(34)22-9-6-20(13-29(22)38-28)36-19-7-10-27-23(12-19)26(35)15-30(37-27)21-8-5-18(32)11-24(21)33/h1-15,31-33H
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Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells by Griess method

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50254328
PNG
(2-(2,4-dihydroxyphenyl)-6-(4-oxo-2-phenyl-4H-chrom...)
Show SMILES Oc1ccc(c(O)c1)-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccccc3)ccc2o1
Show InChI InChI=1S/C30H18O7/c31-18-6-9-21(24(32)12-18)30-16-26(34)23-13-19(8-11-27(23)36-30)35-20-7-10-22-25(33)15-28(37-29(22)14-20)17-4-2-1-3-5-17/h1-16,31-32H
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n/an/a>5.00E+4n/an/an/an/an/an/a



Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by ELISA

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50254424
PNG
(2-(2-hydroxyphenyl)-6-(4-oxo-2-phenyl-4H-chromen-7...)
Show SMILES Oc1ccccc1-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccccc3)ccc2o1
Show InChI InChI=1S/C30H18O6/c31-24-9-5-4-8-21(24)30-17-26(33)23-14-19(11-13-27(23)35-30)34-20-10-12-22-25(32)16-28(36-29(22)15-20)18-6-2-1-3-7-18/h1-17,31H
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n/an/a>5.00E+4n/an/an/an/an/an/a



Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by ELISA

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50254331
PNG
(6,7'-oxybis(2-(2,4-dimethoxyphenyl)-4H-chromen-4-o...)
Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccc(OC)cc3OC)ccc2o1
Show InChI InChI=1S/C34H26O9/c1-37-19-5-10-24(30(14-19)39-3)33-18-28(36)26-13-21(8-12-29(26)42-33)41-22-7-9-23-27(35)17-34(43-32(23)16-22)25-11-6-20(38-2)15-31(25)40-4/h5-18H,1-4H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by ELISA

Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%