Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50158191'   

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 (Ovis aries (Sheep))	BDBM50158191 (1-methyl-4-{(E)-2-[4-(methylsulfonyl)phenyl]-2-phe...) Show SMILES Cc1ccc(\C=C(/c2ccccc2)c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C22H20O2S/c1-17-8-10-18(11-9-17)16-22(19-6-4-3-5-7-19)20-12-14-21(15-13-20)25(2,23)24/h3-16H,1-2H3/b22-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory concentration against ovine Cyclooxygenase-2				Bioorg Med Chem Lett 15: 439-42 (2004) Article DOI: 10.1016/j.bmcl.2004.10.050 BindingDB Entry DOI: 10.7270/Q2GF0T0C
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50158191 (1-methyl-4-{(E)-2-[4-(methylsulfonyl)phenyl]-2-phe...) Show SMILES Cc1ccc(\C=C(/c2ccccc2)c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C22H20O2S/c1-17-8-10-18(11-9-17)16-22(19-6-4-3-5-7-19)20-12-14-21(15-13-20)25(2,23)24/h3-16H,1-2H3/b22-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory concentration against ovine Cyclooxygenase-2				Bioorg Med Chem Lett 15: 439-42 (2004) Article DOI: 10.1016/j.bmcl.2004.10.050 BindingDB Entry DOI: 10.7270/Q2GF0T0C
					More data for this Ligand-Target Pair