Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 565.1 BDBM50455211

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))	BDBM50455211 (CHEMBL4203364) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]-c1ccc(cc1)-c1nn(cc1\[#6]=[#6]-1\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H33ClN4O3S/c1-2-3-4-5-6-7-8-9-18-38-25-16-10-21(11-17-25)27-22(19-26-28(36)32-30(39)33-29(26)37)20-35(34-27)24-14-12-23(31)13-15-24/h10-17,19-20H,2-9,18H2,1H3,(H2,32,33,36,37,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of human mPGES1 expressed in 293 cell microsomes preincubated for 15 mins followed by PGH2 substrate addition measured after 3 secs by enz...				Bioorg Med Chem Lett 28: 858-862 (2018) Article DOI: 10.1016/j.bmcl.2018.02.011 BindingDB Entry DOI: 10.7270/Q25Q4ZPG
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