Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50270592'   

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))	BDBM50270592 (2-(6-(2-cyclopropylethoxy)-9-(2-hydroxy-2-methylpr...) Show SMILES CC(C)(O)Cc1ccc2c3nc([nH]c3c3ccc(OCCC4CC4)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C32H28N4O2/c1-32(2,37)16-20-8-10-24-26(14-20)27-15-23(38-13-12-19-6-7-19)9-11-25(27)30-29(24)35-31(36-30)28-21(17-33)4-3-5-22(28)18-34/h3-5,8-11,14-15,19,37H,6-7,12-13,16H2,1-2H3,(H,35,36)	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
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