Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50313205'   

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))	BDBM50313205 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...) Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |t:1| Show InChI InChI=1S/C21H14Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,25-26H,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. St. Louis Laboratory Curated by ChEMBL					Assay Description Inhibition of human COX2 in IL-1-beta-stimulated human RASF cells assessed as PGF2alpha levels after 50 mins by ELISA				Bioorg Med Chem Lett 20: 1604-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.060 BindingDB Entry DOI: 10.7270/Q25X292V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50313205 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...) Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |t:1| Show InChI InChI=1S/C21H14Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,25-26H,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. St. Louis Laboratory Curated by ChEMBL					Assay Description Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...				Bioorg Med Chem Lett 20: 1604-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.060 BindingDB Entry DOI: 10.7270/Q25X292V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50313205 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...) Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |t:1| Show InChI InChI=1S/C21H14Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,25-26H,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.63E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. St. Louis Laboratory Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				Bioorg Med Chem Lett 20: 1604-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.060 BindingDB Entry DOI: 10.7270/Q25X292V
					More data for this Ligand-Target Pair