Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50049655'   

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))	BDBM50049655 (2-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nccnc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H13FN2O2S/c1-23(21,22)15-8-4-13(5-9-15)17-16(19-10-11-20-17)12-2-6-14(18)7-3-12/h2-11H,1H3	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The M.S University of Baroda Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 expressed in Baculovirus infected sf9 cells using arachidonic acid as substrate preincubated for 10 mins follow...				Eur J Med Chem 162: 1-17 (2019) Article DOI: 10.1016/j.ejmech.2018.10.054 BindingDB Entry DOI: 10.7270/Q2FX7DSW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049655 (2-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nccnc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H13FN2O2S/c1-23(21,22)15-8-4-13(5-9-15)17-16(19-10-11-20-17)12-2-6-14(18)7-3-12/h2-11H,1H3	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2				J Med Chem 39: 1846-56 (1996) Article DOI: 10.1021/jm950878e BindingDB Entry DOI: 10.7270/Q2Z89BGW
					More data for this Ligand-Target Pair