Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50373546'   

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))	BDBM50373546 (CHEMBL257054) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCC2CCC=CC2)cc(n1)C(F)(F)F |w:15.15,c:19| Show InChI InChI=1S/C19H20F3N3O2S/c1-28(26,27)15-9-7-14(8-10-15)18-24-16(19(20,21)22)11-17(25-18)23-12-13-5-3-2-4-6-13/h2-3,7-11,13H,4-6,12H2,1H3,(H,23,24,25)	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	32.9	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373546 (CHEMBL257054) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCC2CCC=CC2)cc(n1)C(F)(F)F |w:15.15,c:19| Show InChI InChI=1S/C19H20F3N3O2S/c1-28(26,27)15-9-7-14(8-10-15)18-24-16(19(20,21)22)11-17(25-18)23-12-13-5-3-2-4-6-13/h2-3,7-11,13H,4-6,12H2,1H3,(H,23,24,25)	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	43.1	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair