Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 383.4 BDBM50430920Purchase

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))	BDBM50430920 (CHEMBL2336485) Show SMILES O=C(CSc1nnc(-c2ccccc2)c(n1)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H17N3OS/c27-20(17-10-4-1-5-11-17)16-28-23-24-21(18-12-6-2-7-13-18)22(25-26-23)19-14-8-3-9-15-19/h1-15H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of full-length microsomal PGES-1 (unknown origin) expressed in Escherichia coli Rosetta(DE3) using PGH2 as substrate assessed as inhibitio...				J Med Chem 56: 3296-309 (2013) Article DOI: 10.1021/jm301900x BindingDB Entry DOI: 10.7270/Q2TB188S
					More data for this Ligand-Target Pair