Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase 2' and Ligand = 'BDBM182008'   

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 2 (Homo sapiens (Human))	BDBM182008 (US9145380, 211) Show SMILES CC(C)(C)C#Cc1ccc(CCS(=O)(=O)Nc2ccc(CO)cc2S(N)(=O)=O)cc1 Show InChI InChI=1S/C21H26N2O5S2/c1-21(2,3)12-10-16-4-6-17(7-5-16)11-13-29(25,26)23-19-9-8-18(15-24)14-20(19)30(22,27)28/h4-9,14,23-24H,11,13,15H2,1-3H3,(H2,22,27,28)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	6.8	n/a
Astrazeneca AB US Patent					Assay Description A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...				US Patent US9145380 (2015) BindingDB Entry DOI: 10.7270/Q2XG9PXM
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