Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50270594'   

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))	BDBM50270594 (4-(3-chlorobenzyl)-2,6-bis(4-(trifluoromethoxy)phe...) Show SMILES OC(=O)c1c(-c2ccc(OC(F)(F)F)cc2)c2sc(cc2n1Cc1cccc(Cl)c1)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H16ClF6NO4S/c29-18-3-1-2-15(12-18)14-36-21-13-22(16-4-8-19(9-5-16)39-27(30,31)32)41-25(21)23(24(36)26(37)38)17-6-10-20(11-7-17)40-28(33,34)35/h1-13H,14H2,(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50270594 (4-(3-chlorobenzyl)-2,6-bis(4-(trifluoromethoxy)phe...) Show SMILES OC(=O)c1c(-c2ccc(OC(F)(F)F)cc2)c2sc(cc2n1Cc1cccc(Cl)c1)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H16ClF6NO4S/c29-18-3-1-2-15(12-18)14-36-21-13-22(16-4-8-19(9-5-16)39-27(30,31)32)41-25(21)23(24(36)26(37)38)17-6-10-20(11-7-17)40-28(33,34)35/h1-13H,14H2,(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. St. Louis Laboratory Curated by ChEMBL					Assay Description Inhibition of mPGES1				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