Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 556.4 BDBM124283

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))	BDBM124283 (US8759537, 20) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC3CC(F)(F)C3)c(F)cc12 Show InChI InChI=1S/C25H26Cl2F3N5O2/c1-24(2,3)22(37)31-11-12-5-6-15(26)20(19(12)27)34-23-33-17-7-14(16(28)8-18(17)35(23)4)21(36)32-13-9-25(29,30)10-13/h5-8,13H,9-11H2,1-4H3,(H,31,37)(H,32,36)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	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
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