Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 693.5 BDBM118899

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))	BDBM118899 (US8674113, 156) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C3(C)CC3)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(cc12)N1CC[C@@H](F)C1 |r| Show InChI InChI=1S/C32H30Cl2F4N6O3/c1-31(10-11-31)29(46)39-15-17-3-8-22(33)27(26(17)34)42-30-41-23-13-21(24(14-25(23)43(30)2)44-12-9-18(35)16-44)28(45)40-19-4-6-20(7-5-19)47-32(36,37)38/h3-8,13-14,18H,9-12,15-16H2,1-2H3,(H,39,46)(H,40,45)(H,41,42)/t18-/m1/s1	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
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