Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50057541'   

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))	BDBM50057541 (4-[5-(3-Chloro-4-methylamino-phenyl)-3-trifluorome...) Show SMILES CNc1ccc(cc1Cl)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14ClF3N4O2S/c1-23-14-7-2-10(8-13(14)18)15-9-16(17(19,20)21)24-25(15)11-3-5-12(6-4-11)28(22,26)27/h2-9,23H,1H3,(H2,22,26,27)	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	26.9	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
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50057541 (4-[5-(3-Chloro-4-methylamino-phenyl)-3-trifluorome...) Show SMILES CNc1ccc(cc1Cl)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14ClF3N4O2S/c1-23-14-7-2-10(8-13(14)18)15-9-16(17(19,20)21)24-25(15)11-3-5-12(6-4-11)28(22,26)27/h2-9,23H,1H3,(H2,22,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	26.9	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 45: 4816-27 (2002) BindingDB Entry DOI: 10.7270/Q2XP764T
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50057541 (4-[5-(3-Chloro-4-methylamino-phenyl)-3-trifluorome...) Show SMILES CNc1ccc(cc1Cl)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14ClF3N4O2S/c1-23-14-7-2-10(8-13(14)18)15-9-16(17(19,20)21)24-25(15)11-3-5-12(6-4-11)28(22,26)27/h2-9,23H,1H3,(H2,22,26,27)	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	27	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to block human recombinant prostaglandin G/H synthase 2 (COX-2)				J Med Chem 40: 1347-65 (1997) Article DOI: 10.1021/jm960803q BindingDB Entry DOI: 10.7270/Q2Z89BHB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50057541 (4-[5-(3-Chloro-4-methylamino-phenyl)-3-trifluorome...) Show SMILES CNc1ccc(cc1Cl)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14ClF3N4O2S/c1-23-14-7-2-10(8-13(14)18)15-9-16(17(19,20)21)24-25(15)11-3-5-12(6-4-11)28(22,26)27/h2-9,23H,1H3,(H2,22,26,27)	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	27	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibitory concentration against human prostaglandin G/H synthase 2 at 25 degrees.				Bioorg Med Chem Lett 12: 267-70 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZJQ
					More data for this Ligand-Target Pair