Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50029602'   

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))	BDBM50029602 (2-Fluoro-4-[2-(4-methanesulfonyl-phenyl)-cyclopent...) Show SMILES COc1ccc(cc1F)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:10| Show InChI InChI=1S/C19H19FO3S/c1-23-19-11-8-14(12-18(19)20)17-5-3-4-16(17)13-6-9-15(10-7-13)24(2,21)22/h6-12H,3-5H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of prostaglandin G/H synthase 2 (COX-2).				J Med Chem 38: 4570-8 (1995) BindingDB Entry DOI: 10.7270/Q23N22D2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029602 (2-Fluoro-4-[2-(4-methanesulfonyl-phenyl)-cyclopent...) Show SMILES COc1ccc(cc1F)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:10| Show InChI InChI=1S/C19H19FO3S/c1-23-19-11-8-14(12-18(19)20)17-5-3-4-16(17)13-6-9-15(10-7-13)24(2,21)22/h6-12H,3-5H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 2 Curated by ChEMBL					Assay Description Inhibition of human Prostaglandin G/H synthase 2				J Med Chem 44: 3223-30 (2001) BindingDB Entry DOI: 10.7270/Q2736S4D
					More data for this Ligand-Target Pair