Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50373573'   

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))	BDBM50373573 (CHEMBL257108) Show SMILES Cc1ccc(CNc2nc(nc(Cl)c2C)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H20ClN3O2S/c1-13-4-6-15(7-5-13)12-22-19-14(2)18(21)23-20(24-19)16-8-10-17(11-9-16)27(3,25)26/h4-11H,12H2,1-3H3,(H,22,23,24)	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	36.7	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373573 (CHEMBL257108) Show SMILES Cc1ccc(CNc2nc(nc(Cl)c2C)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H20ClN3O2S/c1-13-4-6-15(7-5-13)12-22-19-14(2)18(21)23-20(24-19)16-8-10-17(11-9-16)27(3,25)26/h4-11H,12H2,1-3H3,(H,22,23,24)	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	2.72E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of COX2 in Homo sapiens (human) whole blood				Citation and Details Article DOI: 10.1007/s00044-011-9566-8 BindingDB Entry DOI: 10.7270/Q2Q81GZM
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373573 (CHEMBL257108) Show SMILES Cc1ccc(CNc2nc(nc(Cl)c2C)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H20ClN3O2S/c1-13-4-6-15(7-5-13)12-22-19-14(2)18(21)23-20(24-19)16-8-10-17(11-9-16)27(3,25)26/h4-11H,12H2,1-3H3,(H,22,23,24)	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	2.72E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of COX2 in Homo sapiens (human) whole blood				Citation and Details Article DOI: 10.1007/s00044-011-9566-8 BindingDB Entry DOI: 10.7270/Q2Q81GZM
					More data for this Ligand-Target Pair