Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50337663'   

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))	BDBM50337663 (1-benzyl-3-cyclobutyl-1-(3-(phenylethynyl)benzyl)u...) Show SMILES O=C(NC1CCC1)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccccc1 Show InChI InChI=1S/C27H26N2O/c30-27(28-26-15-8-16-26)29(20-24-11-5-2-6-12-24)21-25-14-7-13-23(19-25)18-17-22-9-3-1-4-10-22/h1-7,9-14,19,26H,8,15-16,20-21H2,(H,28,30)	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	12	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))	BDBM50337663 (1-benzyl-3-cyclobutyl-1-(3-(phenylethynyl)benzyl)u...) Show SMILES O=C(NC1CCC1)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccccc1 Show InChI InChI=1S/C27H26N2O/c30-27(28-26-15-8-16-26)29(20-24-11-5-2-6-12-24)21-25-14-7-13-23(19-25)18-17-22-9-3-1-4-10-22/h1-7,9-14,19,26H,8,15-16,20-21H2,(H,28,30)	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	2.40E+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 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