Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50218969'   

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 (Mus musculus (Mouse))	BDBM50218969 (CHEMBL296701) Show SMILES CC(O)c1ccc(cc1)C1=C(OC(C)(C)C1=O)c1ccc(cc1)S(C)(=O)=O |t:10| Show InChI InChI=1S/C21H22O5S/c1-13(22)14-5-7-15(8-6-14)18-19(26-21(2,3)20(18)23)16-9-11-17(12-10-16)27(4,24)25/h5-13,22H,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	776	n/a	n/a	n/a	n/a	n/a	n/a
Pacific Corporation R&D Center Curated by ChEMBL					Assay Description Ability to inhibit Prostaglandin G/H synthase 2 by using freshly harvested mouse peritoneal macrophages				Bioorg Med Chem Lett 11: 165-8 (2001) BindingDB Entry DOI: 10.7270/Q2Z03BB2
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