Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50068183'   

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))	BDBM50068183 (Acetic acid 2-(1-methyl-hept-2-ynylsulfanyl)-pheny...) Show SMILES CCCCC#CC(C)Sc1ccccc1OC(C)=O Show InChI InChI=1S/C16H20O2S/c1-4-5-6-7-10-13(2)19-16-12-9-8-11-15(16)18-14(3)17/h8-9,11-13H,4-6H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Center in Molecular Toxicology and The Vanderbilt Cancer Center Curated by ChEMBL					Assay Description Inhibitory concentration in DMSO with purified ovine Prostaglandin G/H synthase 1 (COX-1).				J Med Chem 41: 4800-18 (1998) Article DOI: 10.1021/jm980303s BindingDB Entry DOI: 10.7270/Q2959GQR
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