Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50286742'   

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))	BDBM50286742 (4-[7-(4-Fluoro-phenyl)-spiro[3.4]oct-6-en-6-yl]-be...) Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(CC2(CCC2)C1)c1ccc(F)cc1 |t:11| Show InChI InChI=1S/C20H20FNO2S/c21-16-6-2-14(3-7-16)18-12-20(10-1-11-20)13-19(18)15-4-8-17(9-5-15)25(22,23)24/h2-9H,1,10-13H2,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibitory activity against inducible form of human recombinant Prostaglandin G/H synthase 1				Bioorg Med Chem Lett 5: 867-872 (1995) Article DOI: 10.1016/0960-894X(95)00131-C BindingDB Entry DOI: 10.7270/Q2P26Z3Q
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