Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50313225'   

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 E synthase (Homo sapiens (Human))	BDBM50313225 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-thiochr...) Show SMILES Clc1ccc(CCc2ccccc2NC(=O)C2CS(=O)(=O)c3ccccc3C2=O)cc1Cl Show InChI InChI=1S/C24H19Cl2NO4S/c25-19-12-10-15(13-20(19)26)9-11-16-5-1-3-7-21(16)27-24(29)18-14-32(30,31)22-8-4-2-6-17(22)23(18)28/h1-8,10,12-13,18H,9,11,14H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. St. Louis Laboratory Curated by ChEMBL					Assay Description Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA				Bioorg Med Chem Lett 20: 1604-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.060 BindingDB Entry DOI: 10.7270/Q25X292V
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50313225 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-thiochr...) Show SMILES Clc1ccc(CCc2ccccc2NC(=O)C2CS(=O)(=O)c3ccccc3C2=O)cc1Cl Show InChI InChI=1S/C24H19Cl2NO4S/c25-19-12-10-15(13-20(19)26)9-11-16-5-1-3-7-21(16)27-24(29)18-14-32(30,31)22-8-4-2-6-17(22)23(18)28/h1-8,10,12-13,18H,9,11,14H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. St. Louis Laboratory Curated by ChEMBL					Assay Description Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA				Bioorg Med Chem Lett 20: 1604-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.060 BindingDB Entry DOI: 10.7270/Q25X292V
					More data for this Ligand-Target Pair