Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50453469'   

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)	BDBM50453469 (CHEMBL4213574) Show SMILES COc1ccc(CCCCCCCc2ccc(O)cc2)cc1OC Show InChI InChI=1S/C21H28O3/c1-23-20-15-12-18(16-21(20)24-2)9-7-5-3-4-6-8-17-10-13-19(22)14-11-17/h10-16,22H,3-9H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mPGES1 in mouse 3T3L1 cells assessed as reduction in PGE2 production after 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.046 BindingDB Entry DOI: 10.7270/Q23B62QH
					More data for this Ligand-Target Pair