Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50049618'   

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))	BDBM50049618 (3-Chloro-4-methoxy-[1,1'';2'',1'''']terphenyl-4'''...) Show SMILES COc1ccc(cc1Cl)-c1ccccc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16ClNO3S/c1-24-19-11-8-14(12-18(19)20)17-5-3-2-4-16(17)13-6-9-15(10-7-13)25(21,22)23/h2-12H,1H3,(H2,21,22,23)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2				J Med Chem 39: 1846-56 (1996) Article DOI: 10.1021/jm950878e BindingDB Entry DOI: 10.7270/Q2Z89BGW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049618 (3-Chloro-4-methoxy-[1,1'';2'',1'''']terphenyl-4'''...) Show SMILES COc1ccc(cc1Cl)-c1ccccc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16ClNO3S/c1-24-19-11-8-14(12-18(19)20)17-5-3-2-4-16(17)13-6-9-15(10-7-13)25(21,22)23/h2-12H,1H3,(H2,21,22,23)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Binding affinity for Prostaglandin G/H synthase 2 (COX-2)				Bioorg Med Chem Lett 14: 4665-70 (2004) Article DOI: 10.1016/j.bmcl.2004.06.095 BindingDB Entry DOI: 10.7270/Q2Q23ZQZ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049618 (3-Chloro-4-methoxy-[1,1'';2'',1'''']terphenyl-4'''...) Show SMILES COc1ccc(cc1Cl)-c1ccccc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16ClNO3S/c1-24-19-11-8-14(12-18(19)20)17-5-3-2-4-16(17)13-6-9-15(10-7-13)25(21,22)23/h2-12H,1H3,(H2,21,22,23)	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	19.1	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