Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 496.9 BDBM451590

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))	BDBM451590 (US10710967, Example 190) Show SMILES CCCC(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1ccc(OCC2CCOCC2)nc1 Show InChI InChI=1S/C26H29ClN4O4/c1-2-3-23(32)28-14-18-4-6-21(27)20(12-18)26-30-22(13-24(33)31-26)19-5-7-25(29-15-19)35-16-17-8-10-34-11-9-17/h4-7,12-13,15,17H,2-3,8-11,14,16H2,1H3,(H,28,32)(H,30,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
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