Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50076866'   

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))	BDBM50076866 (2-(2-Chloro-phenyl)-5-(4-methanesulfonyl-phenyl)-4...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc(nc1-c1ccccc1)-c1ccccc1Cl Show InChI InChI=1S/C22H16ClNO2S2/c1-28(25,26)17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)24-22(27-21)18-9-5-6-10-19(18)23/h2-14H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
G.D. Searle-Monsanto Curated by ChEMBL					Assay Description Inhibition of human cyclooxygenase-2 (hCOX-2) enzyme.				Bioorg Med Chem Lett 9: 1167-70 (1999) BindingDB Entry DOI: 10.7270/Q2HT2NHW
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