Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50057586'   

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 (Mus musculus (Mouse))	BDBM50057586 (4-[5-Difluoromethyl-2-(4-sulfamoyl-phenyl)-2H-pyra...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(O)=O)C(F)F Show InChI InChI=1S/C17H13F2N3O4S/c18-16(19)14-9-15(10-1-3-11(4-2-10)17(23)24)22(21-14)12-5-7-13(8-6-12)27(20,25)26/h1-9,16H,(H,23,24)(H2,20,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 45: 4816-27 (2002) BindingDB Entry DOI: 10.7270/Q2XP764T
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50057586 (4-[5-Difluoromethyl-2-(4-sulfamoyl-phenyl)-2H-pyra...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(O)=O)C(F)F Show InChI InChI=1S/C17H13F2N3O4S/c18-16(19)14-9-15(10-1-3-11(4-2-10)17(23)24)22(21-14)12-5-7-13(8-6-12)27(20,25)26/h1-9,16H,(H,23,24)(H2,20,25,26)	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	4.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to block human recombinant prostaglandin G/H synthase 2 (COX-2)				J Med Chem 40: 1347-65 (1997) Article DOI: 10.1021/jm960803q BindingDB Entry DOI: 10.7270/Q2Z89BHB
					More data for this Ligand-Target Pair