Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50308742'   

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 1 (Mus musculus)	BDBM50308742 (2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[3,4-(difl...) Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1 Show InChI InChI=1S/C20H17F2NO4S/c1-12-14(10-20(24)25)9-19(13-3-6-16(7-4-13)28(2,26)27)23(12)15-5-8-17(21)18(22)11-15/h3-9,11H,10H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
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