Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 413.8 BDBM451448

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))	BDBM451448 (US10710967, Example 44) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1ccc(C)cc1F Show InChI InChI=1S/C22H21ClFN3O2/c1-12(2)22(29)25-11-14-5-7-17(23)16(9-14)21-26-19(10-20(28)27-21)15-6-4-13(3)8-18(15)24/h4-10,12H,11H2,1-3H3,(H,25,29)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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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