Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50300792'   

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 (Ovis aries (Sheep))	BDBM50300792 (5-(4-Carboxymethylphenyl)-1-(4-aminosulfonylphenyl...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CC(O)=O)cc1)C(F)(F)F Show InChI InChI=1S/C18H14F3N3O4S/c19-18(20,21)16-10-15(12-3-1-11(2-4-12)9-17(25)26)24(23-16)13-5-7-14(8-6-13)29(22,27)28/h1-8,10H,9H2,(H,25,26)(H2,22,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immunoassay				Bioorg Med Chem 17: 5182-8 (2009) Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V
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