Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 668.5 BDBM124313

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))	BDBM124313 (US8759537, 50) Show SMILES COC(=O)c1ccc(NC(=O)c2cc3nc(Nc4c(Cl)ccc(CNC(=O)C(C)(C)C)c4Cl)n(C)c3cc2OCC(F)F)s1 Show InChI InChI=1S/C29H29Cl2F2N5O5S/c1-29(2,3)27(41)34-12-14-6-7-16(30)24(23(14)31)37-28-35-17-10-15(19(43-13-21(32)33)11-18(17)38(28)4)25(39)36-22-9-8-20(44-22)26(40)42-5/h6-11,21H,12-13H2,1-5H3,(H,34,41)(H,35,37)(H,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 ul of recombinant human mPGES-1 (0.5 ug protein/wel...				US Patent US8759537 (2014) BindingDB Entry DOI: 10.7270/Q2959G7G
					More data for this Ligand-Target Pair