Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 722.5 BDBM118925

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))	BDBM118925 (US8674113, 182) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)c3nccs3)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(cc12)N1CCC(CC1)C(F)(F)F Show InChI InChI=1S/C29H27Cl2F6N7O2S/c1-43-21-13-20(44-9-4-16(5-10-44)29(35,36)37)17(24(45)38-7-6-28(32,33)34)12-19(21)41-27(43)42-23-18(30)3-2-15(22(23)31)14-40-25(46)26-39-8-11-47-26/h2-3,8,11-13,16H,4-7,9-10,14H2,1H3,(H,38,45)(H,40,46)(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	2	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