Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50088509'   

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))	BDBM50088509 (CHEMBL3527201) Show SMILES CC(C)C#Cc1ccc(cc1OCCC(F)(F)F)C(=O)NS(=O)(=O)c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C21H21F3N2O6S2/c1-14(2)7-8-15-9-10-16(13-17(15)32-12-11-21(22,23)24)20(27)26-34(30,31)19-6-4-3-5-18(19)33(25,28)29/h3-6,9-10,13-14H,11-12H2,1-2H3,(H,26,27)(H2,25,28,29)	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	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human mPGES-1 by whole blood assay				Drug Metab Dispos 41: 634-41 (2013) Article DOI: 10.1124/dmd.112.048983 BindingDB Entry DOI: 10.7270/Q2JM2CC1
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