Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50337642'   

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))	BDBM50337642 (1-benzyl-3-isopropyl-1-(3-((3-methoxyphenyl)ethyny...) Show SMILES COc1cccc(c1)C#Cc1cccc(CN(Cc2ccccc2)C(=O)NC(C)C)c1 Show InChI InChI=1S/C27H28N2O2/c1-21(2)28-27(30)29(19-24-9-5-4-6-10-24)20-25-13-7-11-22(17-25)15-16-23-12-8-14-26(18-23)31-3/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	27	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))	BDBM50337642 (1-benzyl-3-isopropyl-1-(3-((3-methoxyphenyl)ethyny...) Show SMILES COc1cccc(c1)C#Cc1cccc(CN(Cc2ccccc2)C(=O)NC(C)C)c1 Show InChI InChI=1S/C27H28N2O2/c1-21(2)28-27(30)29(19-24-9-5-4-6-10-24)20-25-13-7-11-22(17-25)15-16-23-12-8-14-26(18-23)31-3/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	1.30E+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