Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase 2' and Ligand = 'BDBM50339574'   

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))	BDBM50339574 (5-Dimethylamino-naphthalene-1-sulfonic acid{4'-[1-...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)-c1cn(CCCc2ccccc2)nn1 Show InChI InChI=1S/C35H33N5O2S/c1-39(2)34-14-6-13-32-31(34)12-7-15-35(32)43(41,42)37-30-22-20-28(21-23-30)27-16-18-29(19-17-27)33-25-40(38-36-33)24-8-11-26-9-4-3-5-10-26/h3-7,9-10,12-23,25,37H,8,11,24H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of Prostaglandin E2 synthase-1 in IL-1beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
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