Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50425332'   

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))	BDBM50425332 (CHEMBL2315871) Show SMILES CN(C1CCCC1)C(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 Show InChI InChI=1S/C19H24ClN3O2/c1-22(15-4-2-3-5-15)18(24)13-8-10-23(11-9-13)19-21-16-12-14(20)6-7-17(16)25-19/h6-7,12-13,15H,2-5,8-11H2,1H3	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA				Bioorg Med Chem Lett 23: 907-11 (2013) Article DOI: 10.1016/j.bmcl.2012.10.040 BindingDB Entry DOI: 10.7270/Q2Z3210H
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