Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50124795'   

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))	BDBM50124795 (5-Methoxy-2-(2-methoxy-6-pentadecyl-benzylsulfanyl...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1CSc1nc2ccc(OC)cc2[nH]1 Show InChI InChI=1S/C31H46N2O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25-19-17-20-30(35-3)27(25)24-36-31-32-28-22-21-26(34-2)23-29(28)33-31/h17,19-23H,4-16,18,24H2,1-3H3,(H,32,33)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay as LPS induced PGE-2 generation.				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
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