Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM22361'   

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))	BDBM22361 (1,3-Diarylprop-2-yn-1-one, 17a | 1-(furan-3-yl)-3-...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccoc1 Show InChI InChI=1S/C14H10O4S/c1-19(16,17)13-5-2-11(3-6-13)4-7-14(15)12-8-9-18-10-12/h2-3,5-6,8-10H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	8.0	37
University of Alberta					Assay Description The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
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