Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50129497'   

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 (Bos taurus)	BDBM50129497 (6-Isopropoxy-3-(4-methanesulfonyl-phenyl)-4-phenyl...) Show SMILES CC(C)Oc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1 Show InChI InChI=1S/C21H20O5S/c1-14(2)25-19-13-18(15-7-5-4-6-8-15)20(21(22)26-19)16-9-11-17(12-10-16)27(3,23)24/h4-14H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 46: 4872-82 (2003) Article DOI: 10.1021/jm0302391 BindingDB Entry DOI: 10.7270/Q20V8DHZ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50129497 (6-Isopropoxy-3-(4-methanesulfonyl-phenyl)-4-phenyl...) Show SMILES CC(C)Oc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1 Show InChI InChI=1S/C21H20O5S/c1-14(2)25-19-13-18(15-7-5-4-6-8-15)20(21(22)26-19)16-9-11-17(12-10-16)27(3,23)24/h4-14H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibition against ovine Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 13: 2205-9 (2003) BindingDB Entry DOI: 10.7270/Q2J102KC
					More data for this Ligand-Target Pair