Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50142259'   

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))	BDBM50142259 (CHEMBL3760103) Show SMILES CC(C)C(=O)NCc1ccc(C(F)F)c(c1)C(=O)Nc1ncc[nH]1 Show InChI InChI=1S/C16H18F2N4O2/c1-9(2)14(23)21-8-10-3-4-11(13(17)18)12(7-10)15(24)22-16-19-5-6-20-16/h3-7,9,13H,8H2,1-2H3,(H,21,23)(H2,19,20,22,24)	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	2.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 expressed in 293E cells by LC/MS/MS analysis				J Med Chem 59: 194-205 (2016) Article DOI: 10.1021/acs.jmedchem.5b01249 BindingDB Entry DOI: 10.7270/Q2474CQR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50142259 (CHEMBL3760103) Show SMILES CC(C)C(=O)NCc1ccc(C(F)F)c(c1)C(=O)Nc1ncc[nH]1 Show InChI InChI=1S/C16H18F2N4O2/c1-9(2)14(23)21-8-10-3-4-11(13(17)18)12(7-10)15(24)22-16-19-5-6-20-16/h3-7,9,13H,8H2,1-2H3,(H,21,23)(H2,19,20,22,24)	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	3.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES1 in rhIL-1beta-stimulated human A549 cells assessed as PGE2 level treated for 18 hrs after 30 mins pre-incubation with rhIL-1beta...				J Med Chem 59: 194-205 (2016) Article DOI: 10.1021/acs.jmedchem.5b01249 BindingDB Entry DOI: 10.7270/Q2474CQR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50142259 (CHEMBL3760103) Show SMILES CC(C)C(=O)NCc1ccc(C(F)F)c(c1)C(=O)Nc1ncc[nH]1 Show InChI InChI=1S/C16H18F2N4O2/c1-9(2)14(23)21-8-10-3-4-11(13(17)18)12(7-10)15(24)22-16-19-5-6-20-16/h3-7,9,13H,8H2,1-2H3,(H,21,23)(H2,19,20,22,24)	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	4.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES1 in LPS-induced human whole blood assessed as suppression of PGE2 response after 20 to 24 hrs by LC-MS/MS analysis				J Med Chem 59: 194-205 (2016) Article DOI: 10.1021/acs.jmedchem.5b01249 BindingDB Entry DOI: 10.7270/Q2474CQR
					More data for this Ligand-Target Pair