Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50308733'   

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))	BDBM50308733 (2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[4-(methox...) Show SMILES COc1ccc(cc1)-n1c(C)c(CC(O)=O)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H21NO5S/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	170	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 (Mus musculus (Mouse))	BDBM50308733 (2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[4-(methox...) Show SMILES COc1ccc(cc1)-n1c(C)c(CC(O)=O)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H21NO5S/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	6.20E+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))	BDBM50308733 (2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[4-(methox...) Show SMILES COc1ccc(cc1)-n1c(C)c(CC(O)=O)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H21NO5S/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	9.00E+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 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