Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50197521'   

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 (Mus musculus)	BDBM50197521 (CHEMBL3922351) Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc2CCCc2c1 Show InChI InChI=1S/C22H19ClN2O4S/c23-18-10-13-21(14-11-18)30(27,28)25(24-19-7-2-1-3-8-19)22(26)29-20-12-9-16-5-4-6-17(16)15-20/h1-3,7-15,24H,4-6H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-induced PGE2 production after 24 hrs				Bioorg Med Chem Lett 26: 5193-5197 (2016) Article DOI: 10.1016/j.bmcl.2016.09.070 BindingDB Entry DOI: 10.7270/Q2W097WN
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