Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50331902'   

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 (Oryctolagus cuniculus)	BDBM50331902 (CHEMBL1289342 | E-5-Nitro-3-[[4-(Methylsulfonyl)ph...) Show SMILES CS(=O)(=O)c1ccc(\C=C2\C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H12N2O5S/c1-24(22,23)12-5-2-10(3-6-12)8-14-13-9-11(18(20)21)4-7-15(13)17-16(14)19/h2-9H,1H3,(H,17,19)/b14-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...				Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ
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