Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50057595'   

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 (Mus musculus (Mouse))	BDBM50057595 (4-(4-Methyl-5-phenyl-pyrazol-1-yl)-benzenesulfonam...) Show SMILES Cc1cnn(c1-c1ccccc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O2S/c1-12-11-18-19(16(12)13-5-3-2-4-6-13)14-7-9-15(10-8-14)22(17,20)21/h2-11H,1H3,(H2,17,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.68E+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 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))	BDBM50057595 (4-(4-Methyl-5-phenyl-pyrazol-1-yl)-benzenesulfonam...) Show SMILES Cc1cnn(c1-c1ccccc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O2S/c1-12-11-18-19(16(12)13-5-3-2-4-6-13)14-7-9-15(10-8-14)22(17,20)21/h2-11H,1H3,(H2,17,20,21)	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	4.71E+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 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))	BDBM50057595 (4-(4-Methyl-5-phenyl-pyrazol-1-yl)-benzenesulfonam...) Show SMILES Cc1cnn(c1-c1ccccc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O2S/c1-12-11-18-19(16(12)13-5-3-2-4-6-13)14-7-9-15(10-8-14)22(17,20)21/h2-11H,1H3,(H2,17,20,21)	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	4.71E+4	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