Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50313219'   

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))	BDBM50313219 (4-Hydroxy-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-...) Show SMILES OC1C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H16Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,19-20,25-26H,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	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))	BDBM50313219 (4-Hydroxy-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-...) Show SMILES OC1C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H16Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,19-20,25-26H,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	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