Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50136109'   

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))	BDBM50136109 (5-Cyclohexylidenemethyl-6-(4-methanesulfonyl-pheny...) Show SMILES [#6]S(=O)(=O)c1ccc(cc1)-c1cc2-[#8]-[#6]-[#8]-c2cc1\[#6]=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C21H22O4S/c1-26(22,23)18-9-7-16(8-10-18)19-13-21-20(24-14-25-21)12-17(19)11-15-5-3-2-4-6-15/h7-13H,2-6,14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of recombinant human Prostaglandin G/H synthase 2 (COX-2) by enzyme Assay				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
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