Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50099409'   

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))	BDBM50099409 (CHEMBL3342850) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2nc(ccc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)30-12-14-3-9-19(26)18(11-14)22-32-21-17(24(35)33-22)8-10-20(31-21)15-4-6-16(7-5-15)25(27,28)29/h3-11,13H,12H2,1-2H3,(H,30,34)(H,31,32,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...				Bioorg Med Chem Lett 24: 4838-44 (2014) Article DOI: 10.1016/j.bmcl.2014.08.056 BindingDB Entry DOI: 10.7270/Q2X068MN
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50099409 (CHEMBL3342850) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2nc(ccc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)30-12-14-3-9-19(26)18(11-14)22-32-21-17(24(35)33-22)8-10-20(31-21)15-4-6-16(7-5-15)25(27,28)29/h3-11,13H,12H2,1-2H3,(H,30,34)(H,31,32,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...				Bioorg Med Chem Lett 24: 4838-44 (2014) Article DOI: 10.1016/j.bmcl.2014.08.056 BindingDB Entry DOI: 10.7270/Q2X068MN
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50099409 (CHEMBL3342850) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2nc(ccc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)30-12-14-3-9-19(26)18(11-14)22-32-21-17(24(35)33-22)8-10-20(31-21)15-4-6-16(7-5-15)25(27,28)29/h3-11,13H,12H2,1-2H3,(H,30,34)(H,31,32,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	328	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated for 25 mins prior to substrate addition measured after 1 min by HTRF method				Bioorg Med Chem Lett 24: 4838-44 (2014) Article DOI: 10.1016/j.bmcl.2014.08.056 BindingDB Entry DOI: 10.7270/Q2X068MN
					More data for this Ligand-Target Pair