Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50046398   

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))	BDBM50109817 (CHEMBL3604186) Show SMILES COc1ccccc1C(=O)N\N=C\c1cc(Cc2ccccc2Cl)ccc1O Show InChI InChI=1S/C22H19ClN2O3/c1-28-21-9-5-3-7-18(21)22(27)25-24-14-17-13-15(10-11-20(17)26)12-16-6-2-4-8-19(16)23/h2-11,13-14,26H,12H2,1H3,(H,25,27)/b24-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in 12-HHT formation pre-incubated for 5 mins before arachidonic acid addition by HPLC meth...				Bioorg Med Chem 23: 4839-45 (2015) Article DOI: 10.1016/j.bmc.2015.05.045 BindingDB Entry DOI: 10.7270/Q2M90BF8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50109816 (CHEMBL3604187) Show SMILES CCOc1cc(\C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1O Show InChI InChI=1S/C19H15ClN2O4S2/c1-2-26-15-9-11(7-8-14(15)23)10-16-18(25)22(19(27)28-16)21-17(24)12-5-3-4-6-13(12)20/h3-10,23H,2H2,1H3,(H,21,24)/b16-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in 12-HHT formation pre-incubated for 5 mins before arachidonic acid addition by HPLC meth...				Bioorg Med Chem 23: 4839-45 (2015) Article DOI: 10.1016/j.bmc.2015.05.045 BindingDB Entry DOI: 10.7270/Q2M90BF8
					More data for this Ligand-Target Pair