Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50337666'   

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))	BDBM50337666 (1-benzyl-3-(cyclopropylmethyl)-1-(3-(phenylethynyl...) Show SMILES O=C(NCC1CC1)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccccc1 Show InChI InChI=1S/C27H26N2O/c30-27(28-19-24-16-17-24)29(20-25-10-5-2-6-11-25)21-26-13-7-12-23(18-26)15-14-22-8-3-1-4-9-22/h1-13,18,24H,16-17,19-21H2,(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	48	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))	BDBM50337666 (1-benzyl-3-(cyclopropylmethyl)-1-(3-(phenylethynyl...) Show SMILES O=C(NCC1CC1)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccccc1 Show InChI InChI=1S/C27H26N2O/c30-27(28-19-24-16-17-24)29(20-25-10-5-2-6-11-25)21-26-13-7-12-23(18-26)15-14-22-8-3-1-4-9-22/h1-13,18,24H,16-17,19-21H2,(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	3.70E+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