Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50373564'   

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))	BDBM50373564 (CHEMBL272862) Show SMILES Cc1c(NCc2ccccc2)nc(nc1C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H18F3N3O2S/c1-13-17(20(21,22)23)25-19(15-8-10-16(11-9-15)29(2,27)28)26-18(13)24-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,24,25,26)	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	18	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))	BDBM50373564 (CHEMBL272862) Show SMILES Cc1c(NCc2ccccc2)nc(nc1C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H18F3N3O2S/c1-13-17(20(21,22)23)25-19(15-8-10-16(11-9-15)29(2,27)28)26-18(13)24-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,24,25,26)	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	5.55E+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))	BDBM50373564 (CHEMBL272862) Show SMILES Cc1c(NCc2ccccc2)nc(nc1C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H18F3N3O2S/c1-13-17(20(21,22)23)25-19(15-8-10-16(11-9-15)29(2,27)28)26-18(13)24-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,24,25,26)	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	5.56E+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