Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50049624'   

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))	BDBM50049624 (6-(4,5-Difluoro-4'-methanesulfonyl-biphenyl-2-yl)-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C21H16F2O4S/c1-28(24,25)15-5-2-13(3-6-15)16-11-18(22)19(23)12-17(16)14-4-7-20-21(10-14)27-9-8-26-20/h2-7,10-12H,8-9H2,1H3	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	339	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 2 Curated by ChEMBL					Assay Description Inhibition of human Prostaglandin G/H synthase 2				J Med Chem 44: 3223-30 (2001) BindingDB Entry DOI: 10.7270/Q2736S4D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049624 (6-(4,5-Difluoro-4'-methanesulfonyl-biphenyl-2-yl)-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C21H16F2O4S/c1-28(24,25)15-5-2-13(3-6-15)16-11-18(22)19(23)12-17(16)14-4-7-20-21(10-14)27-9-8-26-20/h2-7,10-12H,8-9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	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