Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50142254'   

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))	BDBM50142254 (CHEMBL3759288) Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1nc(C)c([nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClF2N5O2/c1-11(2)20(31)27-10-13-8-16(18(19(24)25)26-9-13)21(32)30-22-28-12(3)17(29-22)14-4-6-15(23)7-5-14/h4-9,11,19H,10H2,1-3H3,(H,27,31)(H2,28,29,30,32)	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	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))	BDBM50142254 (CHEMBL3759288) Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1nc(C)c([nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClF2N5O2/c1-11(2)20(31)27-10-13-8-16(18(19(24)25)26-9-13)21(32)30-22-28-12(3)17(29-22)14-4-6-15(23)7-5-14/h4-9,11,19H,10H2,1-3H3,(H,27,31)(H2,28,29,30,32)	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	39	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))	BDBM50142254 (CHEMBL3759288) Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1nc(C)c([nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClF2N5O2/c1-11(2)20(31)27-10-13-8-16(18(19(24)25)26-9-13)21(32)30-22-28-12(3)17(29-22)14-4-6-15(23)7-5-14/h4-9,11,19H,10H2,1-3H3,(H,27,31)(H2,28,29,30,32)	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	91	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