Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50373570'   

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))	BDBM50373570 (CHEMBL257677) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(Cl)cc(NCc2ccc(F)cc2)n1 Show InChI InChI=1S/C18H15ClFN3O2S/c1-26(24,25)15-8-4-13(5-9-15)18-22-16(19)10-17(23-18)21-11-12-2-6-14(20)7-3-12/h2-10H,11H2,1H3,(H,21,22,23)	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	33.7	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))	BDBM50373570 (CHEMBL257677) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(Cl)cc(NCc2ccc(F)cc2)n1 Show InChI InChI=1S/C18H15ClFN3O2S/c1-26(24,25)15-8-4-13(5-9-15)18-22-16(19)10-17(23-18)21-11-12-2-6-14(20)7-3-12/h2-10H,11H2,1H3,(H,21,22,23)	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	2.96E+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))	BDBM50373570 (CHEMBL257677) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(Cl)cc(NCc2ccc(F)cc2)n1 Show InChI InChI=1S/C18H15ClFN3O2S/c1-26(24,25)15-8-4-13(5-9-15)18-22-16(19)10-17(23-18)21-11-12-2-6-14(20)7-3-12/h2-10H,11H2,1H3,(H,21,22,23)	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	2.97E+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