Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50289331'   

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))	BDBM50289331 (6-(3-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2nc(nn2c1-c1cccc(F)c1)C(F)(F)F Show InChI InChI=1S/C18H11F4N3O2S2/c1-29(26,27)13-7-5-10(6-8-13)15-14(11-3-2-4-12(19)9-11)25-17(28-15)23-16(24-25)18(20,21)22/h2-9H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 2 in chinese hamster ovary (CHO) cells				Bioorg Med Chem Lett 7: 57-62 (1997) Article DOI: 10.1016/S0960-894X(96)00582-3 BindingDB Entry DOI: 10.7270/Q29W0FG1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50289331 (6-(3-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2nc(nn2c1-c1cccc(F)c1)C(F)(F)F Show InChI InChI=1S/C18H11F4N3O2S2/c1-29(26,27)13-7-5-10(6-8-13)15-14(11-3-2-4-12(19)9-11)25-17(28-15)23-16(24-25)18(20,21)22/h2-9H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.29E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of COX2 (unknown origin) expressed in CHO cells				Citation and Details Article DOI: 10.1007/s00044-004-0039-1 BindingDB Entry DOI: 10.7270/Q2280BHV
					More data for this Ligand-Target Pair