Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'alfonso' and Initial = 's'   

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))	BDBM50492037 (CHEMBL2391055) Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1)C#N Show InChI InChI=1S/C19H14F2N2O2S/c1-12-14(11-22)9-19(13-3-6-16(7-4-13)26(2,24)25)23(12)15-5-8-17(20)18(21)10-15/h3-10H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassay				Bioorg Med Chem 21: 3695-701 (2013) Article DOI: 10.1016/j.bmc.2013.04.031 BindingDB Entry DOI: 10.7270/Q2GT5R3K
					More data for this Ligand-Target Pair
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))	BDBM50492043 (CHEMBL2391047) Show SMILES Cc1c(C=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C19H16FNO3S/c1-13-15(12-22)10-19(21(13)17-5-3-4-16(20)11-17)14-6-8-18(9-7-14)25(2,23)24/h3-12H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassay				Bioorg Med Chem 21: 3695-701 (2013) Article DOI: 10.1016/j.bmc.2013.04.031 BindingDB Entry DOI: 10.7270/Q2GT5R3K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50492035 (CHEMBL2391054) Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C#N Show InChI InChI=1S/C19H15FN2O2S/c1-13-15(12-21)10-19(22(13)17-5-3-4-16(20)11-17)14-6-8-18(9-7-14)25(2,23)24/h3-11H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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 COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassay				Bioorg Med Chem 21: 3695-701 (2013) Article DOI: 10.1016/j.bmc.2013.04.031 BindingDB Entry DOI: 10.7270/Q2GT5R3K
					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))	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))	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))	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))	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))	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))	BDBM50057895 (1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2...) Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1)C#N Show InChI InChI=1S/C19H15FN2O2S/c1-13-15(12-21)11-19(22(13)17-7-5-16(20)6-8-17)14-3-9-18(10-4-14)25(2,23)24/h3-11H,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 COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassay				Bioorg Med Chem 21: 3695-701 (2013) Article DOI: 10.1016/j.bmc.2013.04.031 BindingDB Entry DOI: 10.7270/Q2GT5R3K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50492040 (CHEMBL2391049) Show SMILES Cc1c(C=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C19H17NO3S/c1-14-16(13-21)12-19(20(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)24(2,22)23/h3-13H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassay				Bioorg Med Chem 21: 3695-701 (2013) Article DOI: 10.1016/j.bmc.2013.04.031 BindingDB Entry DOI: 10.7270/Q2GT5R3K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50057898 (1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2...) Show SMILES Cc1c(C=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C19H16FNO3S/c1-13-15(12-22)11-19(21(13)17-7-5-16(20)6-8-17)14-3-9-18(10-4-14)25(2,23)24/h3-12H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassay				Bioorg Med Chem 21: 3695-701 (2013) Article DOI: 10.1016/j.bmc.2013.04.031 BindingDB Entry DOI: 10.7270/Q2GT5R3K
					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))	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))	BDBM185732 (US9162979, 27-II) Show SMILES Cc1c(CC(=O)NCCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C23H25FN2O4S/c1-16-18(14-23(28)25-11-4-12-27)13-22(26(16)20-6-3-5-19(24)15-20)17-7-9-21(10-8-17)31(2,29)30/h3,5-10,13,15,27H,4,11-12,14H2,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50495265 (CHEMBL3104552) Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C(N)C(=O)NCCCO Show InChI InChI=1S/C23H26FN3O4S/c1-15-20(22(25)23(29)26-11-4-12-28)14-21(27(15)18-6-3-5-17(24)13-18)16-7-9-19(10-8-16)32(2,30)31/h3,5-10,13-14,22,28H,4,11-12,25H2,1-2H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50495257 (CHEMBL3104549) Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C(N)C(=O)NCCO[N+]([O-])=O Show InChI InChI=1S/C22H23FN4O6S/c1-14-19(21(24)22(28)25-10-11-33-27(29)30)13-20(26(14)17-5-3-4-16(23)12-17)15-6-8-18(9-7-15)34(2,31)32/h3-9,12-13,21H,10-11,24H2,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					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	61	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassay				Bioorg Med Chem 21: 3695-701 (2013) Article DOI: 10.1016/j.bmc.2013.04.031 BindingDB Entry DOI: 10.7270/Q2GT5R3K
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	BDBM185731 (US9162979, 26-II) Show SMILES Cc1c(CC(=O)NCCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C23H25FN2O4S/c1-16-18(15-23(28)25-12-3-13-27)14-22(26(16)20-8-6-19(24)7-9-20)17-4-10-21(11-5-17)31(2,29)30/h4-11,14,27H,3,12-13,15H2,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50495266 (CHEMBL3104545) Show SMILES Cc1c(CC(=O)NC(CO)C(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C23H23FN2O6S/c1-14-16(11-22(28)25-20(13-27)23(29)30)10-21(26(14)18-5-3-4-17(24)12-18)15-6-8-19(9-7-15)33(2,31)32/h3-10,12,20,27H,11,13H2,1-2H3,(H,25,28)(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50492034 (CHEMBL2391048) Show SMILES Cc1c(C=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1 Show InChI InChI=1S/C19H15F2NO3S/c1-12-14(11-23)9-19(13-3-6-16(7-4-13)26(2,24)25)22(12)15-5-8-17(20)18(21)10-15/h3-11H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassay				Bioorg Med Chem 21: 3695-701 (2013) Article DOI: 10.1016/j.bmc.2013.04.031 BindingDB Entry DOI: 10.7270/Q2GT5R3K
					More data for this Ligand-Target Pair
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))	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))	BDBM185735 (US9162979, 32-II) Show SMILES Cc1c(CC(=O)NC(CCO)C(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C24H25FN2O6S/c1-15-17(14-23(29)26-21(11-12-28)24(30)31)13-22(27(15)19-7-5-18(25)6-8-19)16-3-9-20(10-4-16)34(2,32)33/h3-10,13,21,28H,11-12,14H2,1-2H3,(H,26,29)(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					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))	BDBM50495261 (CHEMBL3104550) Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C(N)C(=O)NCCCO[N+]([O-])=O Show InChI InChI=1S/C23H25FN4O6S/c1-15-20(22(25)23(29)26-11-4-12-34-28(30)31)14-21(27(15)18-6-3-5-17(24)13-18)16-7-9-19(10-8-16)35(2,32)33/h3,5-10,13-14,22H,4,11-12,25H2,1-2H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50495270 (CHEMBL3104541) Show SMILES Cc1c(CC(=O)NC(CO[N+]([O-])=O)C(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C23H22FN3O8S/c1-14-16(11-22(28)25-20(23(29)30)13-35-27(31)32)10-21(26(14)18-5-3-4-17(24)12-18)15-6-8-19(9-7-15)36(2,33)34/h3-10,12,20H,11,13H2,1-2H3,(H,25,28)(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50492039 (CHEMBL2391052) Show SMILES Cc1c(\C=N/O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1 Show InChI InChI=1S/C19H16F2N2O3S/c1-12-14(11-22-24)9-19(13-3-6-16(7-4-13)27(2,25)26)23(12)15-5-8-17(20)18(21)10-15/h3-11,24H,1-2H3/b22-11-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassay				Bioorg Med Chem 21: 3695-701 (2013) Article DOI: 10.1016/j.bmc.2013.04.031 BindingDB Entry DOI: 10.7270/Q2GT5R3K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50495262 (CHEMBL3104547) Show SMILES Cc1c(CC(=O)NC(CO)C(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C23H23FN2O6S/c1-14-16(12-22(28)25-20(13-27)23(29)30)11-21(26(14)18-7-5-17(24)6-8-18)15-3-9-19(10-4-15)33(2,31)32/h3-11,20,27H,12-13H2,1-2H3,(H,25,28)(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					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))	BDBM50492038 (CHEMBL2391053) Show SMILES Cc1c(\C=N/O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C19H18N2O3S/c1-14-16(13-20-22)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)25(2,23)24/h3-13,22H,1-2H3/b20-13-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassay				Bioorg Med Chem 21: 3695-701 (2013) Article DOI: 10.1016/j.bmc.2013.04.031 BindingDB Entry DOI: 10.7270/Q2GT5R3K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50392669 (CHEMBL2153831) Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1)C(N)C(=O)OCCCCO Show InChI InChI=1S/C24H27FN2O5S/c1-16-21(23(26)24(29)32-14-4-3-13-28)15-22(27(16)19-9-7-18(25)8-10-19)17-5-11-20(12-6-17)33(2,30)31/h5-12,15,23,28H,3-4,13-14,26H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-mediated PGE2 production in LPS-induced mouse J774 cells by radioimmunoassay				Eur J Med Chem 58: 287-98 (2012) Article DOI: 10.1016/j.ejmech.2012.10.014 BindingDB Entry DOI: 10.7270/Q2HH6M5D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50495258 (CHEMBL3104556) Show SMILES Cc1c(CC(=O)NCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FN3O6S/c1-15-17(14-22(27)24-11-12-32-26(28)29)13-21(25(15)19-7-5-18(23)6-8-19)16-3-9-20(10-4-16)33(2,30)31/h3-10,13H,11-12,14H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	249	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50495259 (CHEMBL3104555) Show SMILES Cc1c(CC(=O)NCCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C23H24FN3O6S/c1-16-18(14-23(28)25-11-4-12-33-27(29)30)13-22(26(16)20-6-3-5-19(24)15-20)17-7-9-21(10-8-17)34(2,31)32/h3,5-10,13,15H,4,11-12,14H2,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					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 (Mus musculus (Mouse))	BDBM185730 (US9162979, 24-II) Show SMILES Cc1c(CC(=O)NCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C22H23FN2O4S/c1-15-17(13-22(27)24-10-11-26)12-21(25(15)19-5-3-4-18(23)14-19)16-6-8-20(9-7-16)30(2,28)29/h3-9,12,14,26H,10-11,13H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50495269 (CHEMBL3104554) Show SMILES Cc1c(CC(=O)NCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C22H22FN3O6S/c1-15-17(13-22(27)24-10-11-32-26(28)29)12-21(25(15)19-5-3-4-18(23)14-19)16-6-8-20(9-7-16)33(2,30)31/h3-9,12,14H,10-11,13H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM185729 (US9162979, 23-II) Show SMILES Cc1c(CC(=O)NCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C22H23FN2O4S/c1-15-17(14-22(27)24-11-12-26)13-21(25(15)19-7-5-18(23)6-8-19)16-3-9-20(10-4-16)30(2,28)29/h3-10,13,26H,11-12,14H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50495264 (CHEMBL3104557) Show SMILES Cc1c(CC(=O)NCCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C23H24FN3O6S/c1-16-18(15-23(28)25-12-3-13-33-27(29)30)14-22(26(16)20-8-6-19(24)7-9-20)17-4-10-21(11-5-17)34(2,31)32/h4-11,14H,3,12-13,15H2,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50495267 (CHEMBL3104543) Show SMILES Cc1c(CC(=O)NC(CO[N+]([O-])=O)C(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C23H22FN3O8S/c1-14-16(12-22(28)25-20(23(29)30)13-35-27(31)32)11-21(26(14)18-7-5-17(24)6-8-18)15-3-9-19(10-4-15)36(2,33)34/h3-11,20H,12-13H2,1-2H3,(H,25,28)(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50492036 (CHEMBL2391056) Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1)C#N Show InChI InChI=1S/C19H16N2O2S/c1-14-16(13-20)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)24(2,22)23/h3-12H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassay				Bioorg Med Chem 21: 3695-701 (2013) Article DOI: 10.1016/j.bmc.2013.04.031 BindingDB Entry DOI: 10.7270/Q2GT5R3K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50492041 (CHEMBL2391050) Show SMILES Cc1c(\C=N/O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN2O3S/c1-13-15(12-21-23)11-19(22(13)17-7-5-16(20)6-8-17)14-3-9-18(10-4-14)26(2,24)25/h3-12,23H,1-2H3/b21-12-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassay				Bioorg Med Chem 21: 3695-701 (2013) Article DOI: 10.1016/j.bmc.2013.04.031 BindingDB Entry DOI: 10.7270/Q2GT5R3K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50492042 (CHEMBL2391051) Show SMILES Cc1c(\C=N/O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C19H17FN2O3S/c1-13-15(12-21-23)10-19(22(13)17-5-3-4-16(20)11-17)14-6-8-18(9-7-14)26(2,24)25/h3-12,23H,1-2H3/b21-12-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassay				Bioorg Med Chem 21: 3695-701 (2013) Article DOI: 10.1016/j.bmc.2013.04.031 BindingDB Entry DOI: 10.7270/Q2GT5R3K
					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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