Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 715.4 BDBM118815

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))	BDBM118815 (US8674113, 72) Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)NCC(F)(F)C(F)(F)F)c(cc3n2CC(F)F)N2CCOCC2)c1Cl Show InChI InChI=1S/C29H31Cl2F7N6O3/c1-27(2,3)25(46)39-12-15-4-5-17(30)23(22(15)31)42-26-41-18-10-16(24(45)40-14-28(34,35)29(36,37)38)19(43-6-8-47-9-7-43)11-20(18)44(26)13-21(32)33/h4-5,10-11,21H,6-9,12-14H2,1-3H3,(H,39,46)(H,40,45)(H,41,42)	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 μl of recombinant human mPGES-1 (0.5 μg p...				US Patent US8674113 (2014) BindingDB Entry DOI: 10.7270/Q2708035
					More data for this Ligand-Target Pair