Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 512.8 BDBM451587

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))	BDBM451587 (US10710967, Example 187) Show SMILES CC(C)C(=O)NCc1ccc(F)c(c1Cl)-c1nc(cc(=O)[nH]1)-c1ccc(OCCC(F)(F)F)nc1 Show InChI InChI=1S/C23H21ClF4N4O3/c1-12(2)22(34)30-11-14-3-5-15(25)19(20(14)24)21-31-16(9-17(33)32-21)13-4-6-18(29-10-13)35-8-7-23(26,27)28/h3-6,9-10,12H,7-8,11H2,1-2H3,(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	5.90	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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