Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50297696'   

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 G/H synthase 2 (Homo sapiens (Human))	BDBM50297696 (4-(4-fluorophenyl)-2-((1-methyl-1H-pyrrol-2-yl)met...) Show SMILES Cn1cccc1Cc1ncc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H20FN3O2S/c1-27-13-3-4-19(27)14-22-25-15-21(16-7-11-20(12-8-16)30(2,28)29)23(26-22)17-5-9-18(24)10-6-17/h3-13,15H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...				Bioorg Med Chem Lett 19: 4509-14 (2009) Article DOI: 10.1016/j.bmcl.2009.02.089 BindingDB Entry DOI: 10.7270/Q2W66KSC
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