Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50313210'   

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))	BDBM50313210 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...) Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(nc1)-c1ccc(Cl)c(Cl)c1 |t:1| Show InChI InChI=1S/C20H13Cl2N3O4S/c21-14-7-5-11(9-15(14)22)16-8-6-12(10-23-16)24-20(27)18-19(26)13-3-1-2-4-17(13)30(28,29)25-18/h1-10,25-26H,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	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))	BDBM50313210 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...) Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(nc1)-c1ccc(Cl)c(Cl)c1 |t:1| Show InChI InChI=1S/C20H13Cl2N3O4S/c21-14-7-5-11(9-15(14)22)16-8-6-12(10-23-16)24-20(27)18-19(26)13-3-1-2-4-17(13)30(28,29)25-18/h1-10,25-26H,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	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