Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50135228'   

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))	BDBM50135228 (CHEMBL3746729) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc2CCCc2c1 Show InChI InChI=1S/C23H22N2O5S/c1-29-20-12-14-22(15-13-20)31(27,28)25(24-19-8-3-2-4-9-19)23(26)30-21-11-10-17-6-5-7-18(17)16-21/h2-4,8-16,24H,5-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of PGES-1 in human A549 cell microsomes using PGH2 as substrate assessed as suppression of interleukin-1beta-stimulated PGE2 production in...				Bioorg Med Chem Lett 26: 94-9 (2015) Article DOI: 10.1016/j.bmcl.2015.11.024 BindingDB Entry DOI: 10.7270/Q2PR7XT0
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