Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 472.4 BDBM451702

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))	BDBM451702 (US10710967, Example 297) Show SMILES CC#Cc1ccc(nc1)-c1cc(=O)[nH]c(n1)-c1c(F)c(CNC(=O)C(C)C)ccc1C(F)(F)F Show InChI InChI=1S/C24H20F4N4O2/c1-4-5-14-6-9-17(29-11-14)18-10-19(33)32-22(31-18)20-16(24(26,27)28)8-7-15(21(20)25)12-30-23(34)13(2)3/h6-11,13H,12H2,1-3H3,(H,30,34)(H,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	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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