Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50138443'   

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 (Homo sapiens (Human))	BDBM50138443 (4-[5-(2-Chloro-phenyl)-3-trifluoromethyl-pyrazol-1...) Show SMILES NS(=O)(=O)c1ccc(cc1CO)-n1nc(cc1-c1ccccc1Cl)C(F)(F)F Show InChI InChI=1S/C17H13ClF3N3O3S/c18-13-4-2-1-3-12(13)14-8-16(17(19,20)21)23-24(14)11-5-6-15(28(22,26)27)10(7-11)9-25/h1-8,25H,9H2,(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Discovery Research-Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human Prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus				Bioorg Med Chem Lett 14: 499-504 (2003) BindingDB Entry DOI: 10.7270/Q280522Q
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