Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM222088'   

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 (Ovis aries (Sheep))	BDBM222088 (4-(4-Fluorophenyl)-6-(4-isobutylphenyl)-2-oxo-1,2-...) Show SMILES CC(C)Cc1ccc(cc1)-c1cc(-c2ccc(F)cc2)c(C#N)c(=O)[nH]1 Show InChI InChI=1S/C22H19FN2O/c1-14(2)11-15-3-5-17(6-4-15)21-12-19(20(13-24)22(26)25-21)16-7-9-18(23)10-8-16/h3-10,12,14H,11H2,1-2H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Fayoum University					Assay Description The ability of the tested compounds to inhibit both isozymes, COX-1 and COX-2 was measured using colorimetric COX (ovine) Inhibitor Screening Assay K...				Bioorg Chem 70: 173-183 (2017) Article DOI: 10.1016/j.bioorg.2016.12.008 BindingDB Entry DOI: 10.7270/Q208645J
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