Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50084343'   

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 (Homo sapiens (Human))	BDBM50084343 (4-(4-Methanesulfonyl-phenyl)-3-(4-trifluoromethyl-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1coc(=O)n1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H12F3NO4S/c1-26(23,24)14-8-2-11(3-9-14)15-10-25-16(22)21(15)13-6-4-12(5-7-13)17(18,19)20/h2-10H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Binding affinity towards Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 13: 3753-7 (2003) BindingDB Entry DOI: 10.7270/Q2JM2BS0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50084343 (4-(4-Methanesulfonyl-phenyl)-3-(4-trifluoromethyl-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1coc(=O)n1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H12F3NO4S/c1-26(23,24)14-8-2-11(3-9-14)15-10-25-16(22)21(15)13-6-4-12(5-7-13)17(18,19)20/h2-10H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2				J Med Chem 43: 214-23 (2000) BindingDB Entry DOI: 10.7270/Q2DV1KK0
					More data for this Ligand-Target Pair