Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50397230'   

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))	BDBM50397230 (CHEMBL2172772) Show SMILES Cc1c(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c2cc(ccc2n1Cc1ccc(Cl)cc1)C#Cc1ccccc1 Show InChI InChI=1S/C33H27ClN2O3S/c1-23-8-17-29(18-9-23)40(38,39)35-33(37)21-30-24(2)36(22-27-12-15-28(34)16-13-27)32-19-14-26(20-31(30)32)11-10-25-6-4-3-5-7-25/h3-9,12-20H,21-22H2,1-2H3,(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC a...				J Med Chem 55: 8958-62 (2012) Article DOI: 10.1021/jm3010543 BindingDB Entry DOI: 10.7270/Q20Z74FD
					More data for this Ligand-Target Pair