Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50057002'   

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))	BDBM50057002 (4-Hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda*6...) Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2sccc2S1(=O)=O |t:12| Show InChI InChI=1S/C12H11N3O4S3/c1-6-5-13-12(21-6)14-11(17)8-9(16)10-7(3-4-20-10)22(18,19)15(8)2/h3-5,16H,1-2H3,(H,13,14,17)	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	510	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Concentration of drug that causes a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production (...				J Med Chem 40: 980-9 (1997) Article DOI: 10.1021/jm9607010 BindingDB Entry DOI: 10.7270/Q2WH2P37
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