Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50285518'   

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))	BDBM50285518 (4-[3-(3-Fluoro-4-methoxy-phenyl)-benzofuran-2-yl]-...) Show SMILES COc1ccc(cc1F)-c1c(oc2ccccc12)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H16FNO4S/c1-26-19-11-8-14(12-17(19)22)20-16-4-2-3-5-18(16)27-21(20)13-6-9-15(10-7-13)28(23,24)25/h2-12H,1H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant cyclooxygenase-2 enzyme				Bioorg Med Chem Lett 5: 2377-2380 (1995) Article DOI: 10.1016/0960-894X(95)00414-O BindingDB Entry DOI: 10.7270/Q2X06705
					More data for this Ligand-Target Pair