Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50337650'   

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))	BDBM50337650 (3-isopropyl-1-(3-methoxybenzyl)-1-(3-(phenylethyny...) Show SMILES COc1cccc(CN(Cc2cccc(c2)C#Cc2ccccc2)C(=O)NC(C)C)c1 Show InChI InChI=1S/C27H28N2O2/c1-21(2)28-27(30)29(20-25-13-8-14-26(18-25)31-3)19-24-12-7-11-23(17-24)16-15-22-9-5-4-6-10-22/h4-14,17-18,21H,19-20H2,1-3H3,(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	46	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))	BDBM50337650 (3-isopropyl-1-(3-methoxybenzyl)-1-(3-(phenylethyny...) Show SMILES COc1cccc(CN(Cc2cccc(c2)C#Cc2ccccc2)C(=O)NC(C)C)c1 Show InChI InChI=1S/C27H28N2O2/c1-21(2)28-27(30)29(20-25-13-8-14-26(18-25)31-3)19-24-12-7-11-23(17-24)16-15-22-9-5-4-6-10-22/h4-14,17-18,21H,19-20H2,1-3H3,(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	3.60E+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