Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50336968'   

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))	BDBM50336968 (3-(5-(3-iodophenyl)-1-(4-sulfamoylphenyl)-1H-pyraz...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CCC(O)=O)cc1-c1cccc(I)c1 Show InChI InChI=1S/C18H16IN3O4S/c19-13-3-1-2-12(10-13)17-11-14(4-9-18(23)24)21-22(17)15-5-7-16(8-6-15)27(20,25)26/h1-3,5-8,10-11H,4,9H2,(H,23,24)(H2,20,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ovine purified COX1 after 20 mins				ACS Med Chem Lett 2: 160-164 (2011) Article DOI: 10.1021/ml100232q BindingDB Entry DOI: 10.7270/Q25T3MG9
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