Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50057976'   

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))	BDBM50057976 (4-(4-Chloro-phenoxymethyl)-2-(4-chloro-phenyl)-1-(...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H18Cl2N2O3S/c1-31(28,29)22-12-8-20(9-13-22)27-14-19(15-30-21-10-6-18(25)7-11-21)26-23(27)16-2-4-17(24)5-3-16/h2-14H,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Concentration required to inhibit human Prostaglandin G/H synthase 2 (COX-2) by 50%				J Med Chem 40: 1634-47 (1997) Article DOI: 10.1021/jm9700225 BindingDB Entry DOI: 10.7270/Q2F76BN0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50057976 (4-(4-Chloro-phenoxymethyl)-2-(4-chloro-phenyl)-1-(...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H18Cl2N2O3S/c1-31(28,29)22-12-8-20(9-13-22)27-14-19(15-30-21-10-6-18(25)7-11-21)26-23(27)16-2-4-17(24)5-3-16/h2-14H,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.01E+7	n/a	n/a	n/a	n/a	n/a	n/a
University of Hyderabad Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 45: 4847-57 (2002) BindingDB Entry DOI: 10.7270/Q2SX6FFJ
					More data for this Ligand-Target Pair