Compile Data Set for Download or QSAR

Found 150 hits with Last Name = 'rovini' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361590 (CHEMBL1939677) Show SMILES COc1ccc(cc1)-n1c(C)c(CC(=O)OCCCO[N+]([O-])=O)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C24H26N2O8S/c1-17-19(16-24(27)33-13-4-14-34-26(28)29)15-23(18-5-11-22(12-6-18)35(3,30)31)25(17)20-7-9-21(32-2)10-8-20/h5-12,15H,4,13-14,16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361584 (CHEMBL1939671) Show SMILES Cc1c(CC(=O)OCCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C23H23FN2O7S/c1-16-18(14-23(27)32-11-4-12-33-26(28)29)13-22(25(16)20-6-3-5-19(24)15-20)17-7-9-21(10-8-17)34(2,30)31/h3,5-10,13,15H,4,11-12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224129 (CHEMBL237626 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)14-17-13-21(16-5-11-20(12-6-16)29(3,26)27)24(15(17)2)19-9-7-18(23)8-10-19/h5-13H,4,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224118 (CHEMBL237592 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)13-17-12-21(16-8-10-20(11-9-16)29(3,26)27)24(15(17)2)19-7-5-6-18(23)14-19/h5-12,14H,4,13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361581 (CHEMBL1939667) Show SMILES CSc1ccc(cc1)-n1c(C)c(CC(O)=O)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H21NO4S2/c1-14-16(13-21(23)24)12-20(15-4-10-19(11-5-15)28(3,25)26)22(14)17-6-8-18(27-2)9-7-17/h4-12H,13H2,1-3H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50430948 (CHEMBL2337402) Show SMILES Cc1c(CCOCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C22H23FN2O6S/c1-16-18(11-12-30-13-14-31-25(26)27)15-22(24(16)20-7-5-19(23)6-8-20)17-3-9-21(10-4-17)32(2,28)29/h3-10,15H,11-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA				J Med Chem 56: 3191-206 (2013) Article DOI: 10.1021/jm301370e BindingDB Entry DOI: 10.7270/Q2JS9RSB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50262934 (CHEMBL477362 | [3-(2-Ethoxyethyl)-2-methyl-5-(4-me...) Show SMILES CCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 Show InChI InChI=1S/C22H25NO3S/c1-4-26-15-14-19-16-22(18-10-12-21(13-11-18)27(3,24)25)23(17(19)2)20-8-6-5-7-9-20/h5-13,16H,4,14-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Siena Curated by ChEMBL					Assay Description Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay				J Med Chem 51: 4476-81 (2008) Article DOI: 10.1021/jm800084s BindingDB Entry DOI: 10.7270/Q2KH0N55
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50430957 (CHEMBL2337404) Show SMILES Cc1c(CCOCCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C23H26N2O6S/c1-18-20(13-16-30-14-6-15-31-25(26)27)17-23(24(18)21-7-4-3-5-8-21)19-9-11-22(12-10-19)32(2,28)29/h3-5,7-12,17H,6,13-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA				J Med Chem 56: 3191-206 (2013) Article DOI: 10.1021/jm301370e BindingDB Entry DOI: 10.7270/Q2JS9RSB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50430960 (CHEMBL2337400) Show SMILES Cc1c(CCOCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C22H24N2O6S/c1-17-19(12-13-29-14-15-30-24(25)26)16-22(23(17)20-6-4-3-5-7-20)18-8-10-21(11-9-18)31(2,27)28/h3-11,16H,12-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA				J Med Chem 56: 3191-206 (2013) Article DOI: 10.1021/jm301370e BindingDB Entry DOI: 10.7270/Q2JS9RSB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361587 (CHEMBL1939674) Show SMILES CSc1ccc(cc1)-n1c(C)c(CC(=O)OCCO[N+]([O-])=O)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H24N2O7S2/c1-16-18(15-23(26)31-12-13-32-25(27)28)14-22(17-4-10-21(11-5-17)34(3,29)30)24(16)19-6-8-20(33-2)9-7-19/h4-11,14H,12-13,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50262933 (CHEMBL451358 | [1-(4-Fluoro)phenyl-2-methyl-5-(4-m...) Show SMILES COCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1 Show InChI InChI=1S/C21H22FNO3S/c1-15-17(12-13-26-2)14-21(23(15)19-8-6-18(22)7-9-19)16-4-10-20(11-5-16)27(3,24)25/h4-11,14H,12-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Siena Curated by ChEMBL					Assay Description Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay				J Med Chem 51: 4476-81 (2008) Article DOI: 10.1021/jm800084s BindingDB Entry DOI: 10.7270/Q2KH0N55
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50262990 (CHEMBL517675 | [2-Methyl-5-(4-methylsulphonyl)phen...) Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 Show InChI InChI=1S/C23H27NO3S/c1-4-15-27-16-14-20-17-23(19-10-12-22(13-11-19)28(3,25)26)24(18(20)2)21-8-6-5-7-9-21/h5-13,17H,4,14-16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Siena Curated by ChEMBL					Assay Description Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay				J Med Chem 51: 4476-81 (2008) Article DOI: 10.1021/jm800084s BindingDB Entry DOI: 10.7270/Q2KH0N55
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361578 (CHEMBL1939670) Show SMILES Cc1c(CC(=O)OCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C22H21FN2O7S/c1-15-17(13-22(26)31-10-11-32-25(27)28)12-21(24(15)19-5-3-4-18(23)14-19)16-6-8-20(9-7-16)33(2,29)30/h3-9,12,14H,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224128 (CHEMBL238027 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C22H21F2NO4S/c1-4-29-22(26)12-16-11-21(15-5-8-18(9-6-15)30(3,27)28)25(14(16)2)17-7-10-19(23)20(24)13-17/h5-11,13H,4,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50430956 (CHEMBL2337405) Show SMILES Cc1c(CCOCCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C23H25FN2O6S/c1-17-19(11-14-31-12-4-13-32-26(27)28)15-23(25(17)21-6-3-5-20(24)16-21)18-7-9-22(10-8-18)33(2,29)30/h3,5-10,15-16H,4,11-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA				J Med Chem 56: 3191-206 (2013) Article DOI: 10.1021/jm301370e BindingDB Entry DOI: 10.7270/Q2JS9RSB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361592 (CHEMBL1939511 | US9162979, 8-II) Show SMILES Cc1c(CC(=O)OCCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C23H24FNO5S/c1-16-18(14-23(27)30-12-4-11-26)13-22(25(16)20-6-3-5-19(24)15-20)17-7-9-21(10-8-17)31(2,28)29/h3,5-10,13,15,26H,4,11-12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224122 (CHEMBL398382 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1 Show InChI InChI=1S/C23H25NO5S/c1-5-29-23(25)15-18-14-22(17-6-12-21(13-7-17)30(4,26)27)24(16(18)2)19-8-10-20(28-3)11-9-19/h6-14H,5,15H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361588 (CHEMBL1939675) Show SMILES CSc1ccc(cc1)-n1c(C)c(CC(=O)OCCCO[N+]([O-])=O)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C24H26N2O7S2/c1-17-19(16-24(27)32-13-4-14-33-26(28)29)15-23(18-5-11-22(12-6-18)35(3,30)31)25(17)20-7-9-21(34-2)10-8-20/h5-12,15H,4,13-14,16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50430959 (CHEMBL2337401) Show SMILES Cc1c(CCOCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C22H23FN2O6S/c1-16-18(10-11-30-12-13-31-25(26)27)14-22(24(16)20-5-3-4-19(23)15-20)17-6-8-21(9-7-17)32(2,28)29/h3-9,14-15H,10-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA				J Med Chem 56: 3191-206 (2013) Article DOI: 10.1021/jm301370e BindingDB Entry DOI: 10.7270/Q2JS9RSB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50430954 (CHEMBL2337407 | US9162979, 36-II) Show SMILES Cc1c(CCOCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C22H25NO4S/c1-17-19(12-14-27-15-13-24)16-22(23(17)20-6-4-3-5-7-20)18-8-10-21(11-9-18)28(2,25)26/h3-11,16,24H,12-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA				J Med Chem 56: 3191-206 (2013) Article DOI: 10.1021/jm301370e BindingDB Entry DOI: 10.7270/Q2JS9RSB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361585 (CHEMBL1939672) Show SMILES Cc1c(CC(=O)OCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C22H21FN2O7S/c1-15-17(14-22(26)31-11-12-32-25(27)28)13-21(24(15)19-7-5-18(23)6-8-19)16-3-9-20(10-4-16)33(2,29)30/h3-10,13H,11-12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50262992 (CHEMBL479054 | [1-(4-Fluoro)phenyl-2-methyl-5-(4-m...) Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1 Show InChI InChI=1S/C23H26FNO3S/c1-4-14-28-15-13-19-16-23(18-5-11-22(12-6-18)29(3,26)27)25(17(19)2)21-9-7-20(24)8-10-21/h5-12,16H,4,13-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Siena Curated by ChEMBL					Assay Description Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay				J Med Chem 51: 4476-81 (2008) Article DOI: 10.1021/jm800084s BindingDB Entry DOI: 10.7270/Q2KH0N55
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361586 (CHEMBL1939673) Show SMILES Cc1c(CC(=O)OCCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C23H23FN2O7S/c1-16-18(15-23(27)32-12-3-13-33-26(28)29)14-22(25(16)20-8-6-19(24)7-9-20)17-4-10-21(11-5-17)34(2,30)31/h4-11,14H,3,12-13,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361593 (CHEMBL1939512 | US9162979, 2-II) Show SMILES Cc1c(CC(=O)OCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FNO5S/c1-15-17(14-22(26)29-12-11-25)13-21(24(15)19-7-5-18(23)6-8-19)16-3-9-20(10-4-16)30(2,27)28/h3-10,13,25H,11-12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50166278 (CHEMBL191941 | [5-(4-Methanesulfonyl-phenyl)-2-met...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 Show InChI InChI=1S/C22H23NO4S/c1-4-27-22(24)15-18-14-21(17-10-12-20(13-11-17)28(3,25)26)23(16(18)2)19-8-6-5-7-9-19/h5-14H,4,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Siena Curated by ChEMBL					Assay Description Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay				J Med Chem 51: 4476-81 (2008) Article DOI: 10.1021/jm800084s BindingDB Entry DOI: 10.7270/Q2KH0N55
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361583 (CHEMBL1939669) Show SMILES Cc1c(CC(=O)OCCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C23H24N2O7S/c1-17-19(16-23(26)31-13-6-14-32-25(27)28)15-22(24(17)20-7-4-3-5-8-20)18-9-11-21(12-10-18)33(2,29)30/h3-5,7-12,15H,6,13-14,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361582 (CHEMBL1939668) Show SMILES Cc1c(CC(=O)OCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C22H22N2O7S/c1-16-18(15-22(25)30-12-13-31-24(26)27)14-21(23(16)19-6-4-3-5-7-19)17-8-10-20(11-9-17)32(2,28)29/h3-11,14H,12-13,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50430953 (CHEMBL2337408 | US9162979, 38-II) Show SMILES Cc1c(CCOCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C22H24FNO4S/c1-16-18(10-12-28-13-11-25)14-22(24(16)20-5-3-4-19(23)15-20)17-6-8-21(9-7-17)29(2,26)27/h3-9,14-15,25H,10-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA				J Med Chem 56: 3191-206 (2013) Article DOI: 10.1021/jm301370e BindingDB Entry DOI: 10.7270/Q2JS9RSB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50262989 (CHEMBL476536 | [3-(2-Ethoxyethyl)-1-(4-Fluoro)phen...) Show SMILES CCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1 Show InChI InChI=1S/C22H24FNO3S/c1-4-27-14-13-18-15-22(17-5-11-21(12-6-17)28(3,25)26)24(16(18)2)20-9-7-19(23)8-10-20/h5-12,15H,4,13-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Siena Curated by ChEMBL					Assay Description Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay				J Med Chem 51: 4476-81 (2008) Article DOI: 10.1021/jm800084s BindingDB Entry DOI: 10.7270/Q2KH0N55
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50262931 (CHEMBL516289 | [2-Methyl-5-(4-methylsulphonyl)phen...) Show SMILES COCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 Show InChI InChI=1S/C21H23NO3S/c1-16-18(13-14-25-2)15-21(22(16)19-7-5-4-6-8-19)17-9-11-20(12-10-17)26(3,23)24/h4-12,15H,13-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Siena Curated by ChEMBL					Assay Description Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay				J Med Chem 51: 4476-81 (2008) Article DOI: 10.1021/jm800084s BindingDB Entry DOI: 10.7270/Q2KH0N55
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50262932 (CHEMBL478415 | [2-Methyl-5-(4-methylsulphonyl)phen...) Show SMILES COCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H22F3NO3S/c1-15-17(12-13-29-2)14-21(16-4-10-20(11-5-16)30(3,27)28)26(15)19-8-6-18(7-9-19)22(23,24)25/h4-11,14H,12-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Siena Curated by ChEMBL					Assay Description Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay				J Med Chem 51: 4476-81 (2008) Article DOI: 10.1021/jm800084s BindingDB Entry DOI: 10.7270/Q2KH0N55
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361594 (CHEMBL1939513) Show SMILES Cc1c(CC(=O)OCCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C23H24FNO5S/c1-16-18(15-23(27)30-13-3-12-26)14-22(25(16)20-8-6-19(24)7-9-20)17-4-10-21(11-5-17)31(2,28)29/h4-11,14,26H,3,12-13,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM11639 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50166281 (CHEMBL192789 | [5-(4-Methanesulfonyl-phenyl)-2-met...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H22F3NO4S/c1-4-31-22(28)14-17-13-21(16-5-11-20(12-6-16)32(3,29)30)27(15(17)2)19-9-7-18(8-10-19)23(24,25)26/h5-13H,4,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Siena Curated by ChEMBL					Assay Description Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay				J Med Chem 51: 4476-81 (2008) Article DOI: 10.1021/jm800084s BindingDB Entry DOI: 10.7270/Q2KH0N55
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM11639 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361579 (CHEMBL1939680 | US9162979, 3-II) Show SMILES Cc1c(CC(=O)OCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C22H22FNO5S/c1-15-17(13-22(26)29-11-10-25)12-21(24(15)19-5-3-4-18(23)14-19)16-6-8-20(9-7-16)30(2,27)28/h3-9,12,14,25H,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50262935 (CHEMBL515478 | [3-(2-Ethoxyethyl)-2-methyl-5-(4-me...) Show SMILES CCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H24F3NO3S/c1-4-30-14-13-18-15-22(17-5-11-21(12-6-17)31(3,28)29)27(16(18)2)20-9-7-19(8-10-20)23(24,25)26/h5-12,15H,4,13-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Siena Curated by ChEMBL					Assay Description Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay				J Med Chem 51: 4476-81 (2008) Article DOI: 10.1021/jm800084s BindingDB Entry DOI: 10.7270/Q2KH0N55
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361595 (CHEMBL1939514 | US9162979, 5-II) Show SMILES CSc1ccc(cc1)-n1c(C)c(CC(=O)OCCO)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H25NO5S2/c1-16-18(15-23(26)29-13-12-25)14-22(17-4-10-21(11-5-17)31(3,27)28)24(16)19-6-8-20(30-2)9-7-19/h4-11,14,25H,12-13,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50430947 (CHEMBL2337409 | US9162979, 37-II) Show SMILES Cc1c(CCOCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C22H24FNO4S/c1-16-18(11-13-28-14-12-25)15-22(24(16)20-7-5-19(23)6-8-20)17-3-9-21(10-4-17)29(2,26)27/h3-10,15,25H,11-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA				J Med Chem 56: 3191-206 (2013) Article DOI: 10.1021/jm301370e BindingDB Entry DOI: 10.7270/Q2JS9RSB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361591 (CHEMBL1939678 | US9162979, 1-II) Show SMILES Cc1c(CC(=O)OCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C22H23NO5S/c1-16-18(15-22(25)28-13-12-24)14-21(23(16)19-6-4-3-5-7-19)17-8-10-20(11-9-17)29(2,26)27/h3-11,14,24H,12-13,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50262991 (CHEMBL479053 | [2-Methyl-5-(4-methylsulphonyl)phen...) Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H26F3NO3S/c1-4-14-31-15-13-19-16-23(18-5-11-22(12-6-18)32(3,29)30)28(17(19)2)21-9-7-20(8-10-21)24(25,26)27/h5-12,16H,4,13-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Siena Curated by ChEMBL					Assay Description Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay				J Med Chem 51: 4476-81 (2008) Article DOI: 10.1021/jm800084s BindingDB Entry DOI: 10.7270/Q2KH0N55
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361589 (CHEMBL1939676) Show SMILES COc1ccc(cc1)-n1c(C)c(CC(=O)OCCO[N+]([O-])=O)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H24N2O8S/c1-16-18(15-23(26)32-12-13-33-25(27)28)14-22(17-4-10-21(11-5-17)34(3,29)30)24(16)19-6-8-20(31-2)9-7-19/h4-11,14H,12-13,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50430955 (CHEMBL2337406) Show SMILES Cc1c(CCOCCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C23H25FN2O6S/c1-17-19(12-15-31-13-3-14-32-26(27)28)16-23(25(17)21-8-6-20(24)7-9-21)18-4-10-22(11-5-18)33(2,29)30/h4-11,16H,3,12-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA				J Med Chem 56: 3191-206 (2013) Article DOI: 10.1021/jm301370e BindingDB Entry DOI: 10.7270/Q2JS9RSB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50430950 (CHEMBL2337398 | US9162979, 42-II) Show SMILES Cc1c(CCOCCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C23H26FNO4S/c1-17-19(11-14-29-13-4-12-26)15-23(25(17)21-6-3-5-20(24)16-21)18-7-9-22(10-8-18)30(2,27)28/h3,5-10,15-16,26H,4,11-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA				J Med Chem 56: 3191-206 (2013) Article DOI: 10.1021/jm301370e BindingDB Entry DOI: 10.7270/Q2JS9RSB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361596 (CHEMBL1939515 | US9162979, 10-II) Show SMILES CSc1ccc(cc1)-n1c(C)c(CC(=O)OCCCO)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C24H27NO5S2/c1-17-19(16-24(27)30-14-4-13-26)15-23(18-5-11-22(12-6-18)32(3,28)29)25(17)20-7-9-21(31-2)10-8-20/h5-12,15,26H,4,13-14,16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50430947 (CHEMBL2337409 | US9162979, 37-II) Show SMILES Cc1c(CCOCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C22H24FNO4S/c1-16-18(11-13-28-14-12-25)15-22(24(16)20-7-5-19(23)6-8-20)17-3-9-21(10-4-17)29(2,26)27/h3-10,15,25H,11-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as reduction in LPS-induced PGE2 generation pre-treated prior to LPS-challenge				J Med Chem 56: 3191-206 (2013) Article DOI: 10.1021/jm301370e BindingDB Entry DOI: 10.7270/Q2JS9RSB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224113 (CHEMBL237811 | ethyl-2-Methyl-1-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(F)cc2)n(c1C)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)14-17-13-21(16-5-7-18(23)8-6-16)24(15(17)2)19-9-11-20(12-10-19)29(3,26)27/h5-13H,4,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50430952 (CHEMBL2337396 | US9162979, 39-II) Show SMILES Cc1c(CCOCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1 Show InChI InChI=1S/C22H23F2NO4S/c1-15-17(9-11-29-12-10-26)13-22(16-3-6-19(7-4-16)30(2,27)28)25(15)18-5-8-20(23)21(24)14-18/h3-8,13-14,26H,9-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA				J Med Chem 56: 3191-206 (2013) Article DOI: 10.1021/jm301370e BindingDB Entry DOI: 10.7270/Q2JS9RSB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50166276 (CHEMBL363398 | [5-(4-Methanesulfonyl-phenyl)-2-met...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(C)cc1 Show InChI InChI=1S/C23H25NO4S/c1-5-28-23(25)15-19-14-22(18-8-12-21(13-9-18)29(4,26)27)24(17(19)3)20-10-6-16(2)7-11-20/h6-14H,5,15H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Siena Curated by ChEMBL					Assay Description Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay				J Med Chem 51: 4476-81 (2008) Article DOI: 10.1021/jm800084s BindingDB Entry DOI: 10.7270/Q2KH0N55
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361580 (CHEMBL1939518) Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C20H18FNO4S/c1-13-15(12-20(23)24)11-19(22(13)17-7-5-16(21)6-8-17)14-3-9-18(10-4-14)27(2,25)26/h3-11H,12H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair

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