Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50371744'   

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))	BDBM50371744 (CHEMBL405744) Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C14H12N2O5S/c15-22(20,21)11-4-2-10(3-5-11)16-8-9-1-6-13(17)12(7-9)14(18)19/h1-8,17H,(H,18,19)(H2,15,20,21)/b16-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production				Bioorg Med Chem 16: 2697-706 (2008) Article DOI: 10.1016/j.bmc.2007.11.033 BindingDB Entry DOI: 10.7270/Q2CR5V6J
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