Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 665.4 BDBM118811

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))	BDBM118811 (US8674113, 68) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC(F)(F)C(F)(F)F)c(cc12)N1CCOCC1 Show InChI InChI=1S/C28H31Cl2F5N6O3/c1-26(2,3)24(43)36-13-15-5-6-17(29)22(21(15)30)39-25-38-18-11-16(23(42)37-14-27(31,32)28(33,34)35)19(12-20(18)40(25)4)41-7-9-44-10-8-41/h5-6,11-12H,7-10,13-14H2,1-4H3,(H,36,43)(H,37,42)(H,38,39)	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 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