Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 441.3 BDBM50464481

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50464481 (CHEMBL4289838) Show SMILES [O-][N+](=O)c1cc(ccc1-c1ccc(COc2cccc(c2)C(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1S/C21H13F6NO3/c22-20(23,24)15-2-1-3-17(10-15)31-12-13-4-6-14(7-5-13)18-9-8-16(21(25,26)27)11-19(18)28(29)30/h1-11H,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cell microsomes using PGH2 as substrate assessed as reduction in PGE2 production preincubated ...				Eur J Med Chem 143: 1419-1427 (2018) Article DOI: 10.1016/j.ejmech.2017.10.039 BindingDB Entry DOI: 10.7270/Q2G44SXG
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