Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 476.0 BDBM50512706

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))	BDBM50512706 (CHEMBL4462346) Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(cc1)-c1cccc(Cl)c1 Show InChI InChI=1S/C29H30ClNO3/c1-19-20(16-17-27(32)33)8-5-11-26(19)31-29(34)28(22-6-2-3-7-22)23-14-12-21(13-15-23)24-9-4-10-25(30)18-24/h4-5,8-15,18,22,28H,2-3,6-7,16-17H2,1H3,(H,31,34)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	276	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of human recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate preincubate...				Bioorg Med Chem Lett 29: 2700-2705 (2019) Article DOI: 10.1016/j.bmcl.2019.07.007 BindingDB Entry DOI: 10.7270/Q2FX7DTB
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