Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50337639'   

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))	BDBM50337639 (1-benzyl-1-(3-(benzyloxy)benzyl)-3-isopropylurea |...) Show SMILES CC(C)NC(=O)N(Cc1ccccc1)Cc1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C25H28N2O2/c1-20(2)26-25(28)27(17-21-10-5-3-6-11-21)18-23-14-9-15-24(16-23)29-19-22-12-7-4-8-13-22/h3-16,20H,17-19H2,1-2H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1				Bioorg Med Chem Lett 21: 1488-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.006 BindingDB Entry DOI: 10.7270/Q2XS5VNP
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50337639 (1-benzyl-1-(3-(benzyloxy)benzyl)-3-isopropylurea |...) Show SMILES CC(C)NC(=O)N(Cc1ccccc1)Cc1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C25H28N2O2/c1-20(2)26-25(28)27(17-21-10-5-3-6-11-21)18-23-14-9-15-24(16-23)29-19-22-12-7-4-8-13-22/h3-16,20H,17-19H2,1-2H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta treated human A549 cell microsome assessed as inhibition of PGE2 production after 1 min in presence of 50% FBS				Bioorg Med Chem Lett 21: 1488-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.006 BindingDB Entry DOI: 10.7270/Q2XS5VNP
					More data for this Ligand-Target Pair