Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50153983'   

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))	BDBM50153983 (2-(4-Fluoro-phenyl)-6-isopropoxy-3-(4-methanesulfo...) Show SMILES CC(C)Oc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H20FN3O3S/c1-14(2)29-20-13-12-19-21(15-6-10-18(11-7-15)30(3,27)28)22(25-26(19)24-20)16-4-8-17(23)9-5-16/h4-14H,1-3H3	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	57	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human cyclooxygenase-2 expressed in COS cells				Bioorg Med Chem Lett 14: 5445-8 (2004) Article DOI: 10.1016/j.bmcl.2004.07.089 BindingDB Entry DOI: 10.7270/Q2RJ4HZ7
					More data for this Ligand-Target Pair