Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50057573'   

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 1 (Homo sapiens (Human))	BDBM50057573 (4-[5-(4-Methylamino-phenyl)-3-trifluoromethyl-pyra...) Show SMILES CNc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H15F3N4O2S/c1-22-12-4-2-11(3-5-12)15-10-16(17(18,19)20)23-24(15)13-6-8-14(9-7-13)27(21,25)26/h2-10,22H,1H3,(H2,21,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.38E+4	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 recombinant human prostaglandin G/H synthase 1 (COX-1)				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 1 (Ovis aries (Sheep))	BDBM50057573 (4-[5-(4-Methylamino-phenyl)-3-trifluoromethyl-pyra...) Show SMILES CNc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H15F3N4O2S/c1-22-12-4-2-11(3-5-12)15-10-16(17(18,19)20)23-24(15)13-6-8-14(9-7-13)27(21,25)26/h2-10,22H,1H3,(H2,21,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.38E+4	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 1 (COX-1)				J Med Chem 45: 4816-27 (2002) BindingDB Entry DOI: 10.7270/Q2XP764T
					More data for this Ligand-Target Pair