Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50103314'   

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))	BDBM50103314 (4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2...) Show SMILES CC1N(C)OC(=C1c1ccc(F)cc1)c1ccc(cc1)S(C)(=O)=O |c:5| Show InChI InChI=1S/C18H18FNO3S/c1-12-17(13-4-8-15(19)9-5-13)18(23-20(12)2)14-6-10-16(11-7-14)24(3,21)22/h4-12H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	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 ovine COX-2 using arachidonic acid as substrate by EIA				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))	BDBM50103314 (4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2...) Show SMILES CC1N(C)OC(=C1c1ccc(F)cc1)c1ccc(cc1)S(C)(=O)=O |c:5| Show InChI InChI=1S/C18H18FNO3S/c1-12-17(13-4-8-15(19)9-5-13)18(23-20(12)2)14-6-10-16(11-7-14)24(3,21)22/h4-12H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibitory concentration against Prostaglandin G/H synthase 2				J Med Chem 44: 2921-7 (2001) BindingDB Entry DOI: 10.7270/Q2K64HB5
					More data for this Ligand-Target Pair