Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50166283'   

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))	BDBM50166283 (CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...) Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università "La Sapienza" Curated by ChEMBL					Assay Description In vitro inhibitory activity against Prostaglandin G/H synthase 2 in murine J774 cells				J Med Chem 48: 3428-32 (2005) Article DOI: 10.1021/jm049121q BindingDB Entry DOI: 10.7270/Q2N01628
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50166283 (CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...) Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	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))	BDBM50166283 (CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...) Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50166283 (CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...) Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)	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	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as inhibition of LPS-induced PGE2 production by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50166283 (CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...) Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 1 uM by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50166283 (CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...) Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 10 uM by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair