Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50179602'   

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 (Canis familiaris)	BDBM50179602 (1-(5-(methylsulfonyl)pyridin-2-yl)-5-(5,6,7,8-tetr...) Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1Oc1cccc2CCCCc12)C(F)(F)F Show InChI InChI=1S/C21H17F3N4O3S/c1-32(29,30)14-9-10-18(26-12-14)28-20(16(11-25)19(27-28)21(22,23)24)31-17-8-4-6-13-5-2-3-7-15(13)17/h4,6,8-10,12H,2-3,5,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX1 by canine whole blood assay				Bioorg Med Chem Lett 16: 1202-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.110 BindingDB Entry DOI: 10.7270/Q2FT8KKM
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