Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50110486'   

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 (Homo sapiens (Human))	BDBM50110486 (3-Butyl-1-(4-methanesulfonyl-phenyl)-5-phenyl-1H-p...) Show SMILES CCCCc1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H22N2O2S/c1-3-4-10-17-15-20(16-8-6-5-7-9-16)22(21-17)18-11-13-19(14-12-18)25(2,23)24/h5-9,11-15H,3-4,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Innothera Curated by ChEMBL					Assay Description The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 1 using monocytes-like cells				Bioorg Med Chem Lett 12: 779-82 (2002) BindingDB Entry DOI: 10.7270/Q20864MC
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