Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase 2' and Ligand = 'BDBM50168785'   

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 2 (Homo sapiens (Human))	BDBM50168785 (3-(5-(2'-acetyl-2-fluorobiphenyl-4-yl)-1-(4-chloro...) Show SMILES CC(=O)c1ccccc1-c1ccc(cc1F)-c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(C)c2c1 Show InChI InChI=1S/C35H31ClFNO3/c1-21-30-17-24(25-11-15-29(31(37)18-25)28-8-6-5-7-27(28)22(2)39)12-16-32(30)38(20-23-9-13-26(36)14-10-23)33(21)19-35(3,4)34(40)41/h5-18H,19-20H2,1-4H3,(H,40,41)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)				Bioorg Med Chem Lett 15: 3352-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.027 BindingDB Entry DOI: 10.7270/Q21R6Q1X
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