Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50365900'   

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))	BDBM50365900 (CHEMBL1957885) Show SMILES FC(F)(F)c1ccc(cc1)\N=C\c1cn(C(=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C23H15F3N2O/c24-23(25,26)18-10-12-19(13-11-18)27-14-17-15-28(21-9-5-4-8-20(17)21)22(29)16-6-2-1-3-7-16/h1-15H/b27-14+	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	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 by enzyme immuno assay				Bioorg Med Chem Lett 22: 2154-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.130 BindingDB Entry DOI: 10.7270/Q2BR8SNC
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