Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50057521'   

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))	BDBM50057521 (4-[5-(4-Chloro-phenyl)-4-methanesulfonyl-pyrazol-1...) Show SMILES CS(=O)(=O)c1cnn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H14ClN3O4S2/c1-25(21,22)15-10-19-20(16(15)11-2-4-12(17)5-3-11)13-6-8-14(9-7-13)26(18,23)24/h2-10H,1H3,(H2,18,23,24)	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	1.98E+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))	BDBM50057521 (4-[5-(4-Chloro-phenyl)-4-methanesulfonyl-pyrazol-1...) Show SMILES CS(=O)(=O)c1cnn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H14ClN3O4S2/c1-25(21,22)15-10-19-20(16(15)11-2-4-12(17)5-3-11)13-6-8-14(9-7-13)26(18,23)24/h2-10H,1H3,(H2,18,23,24)	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	1.98E+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
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50057521 (4-[5-(4-Chloro-phenyl)-4-methanesulfonyl-pyrazol-1...) Show SMILES CS(=O)(=O)c1cnn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H14ClN3O4S2/c1-25(21,22)15-10-19-20(16(15)11-2-4-12(17)5-3-11)13-6-8-14(9-7-13)26(18,23)24/h2-10H,1H3,(H2,18,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+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