Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50028226   

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))	BDBM50276752 (CHEMBL460015 | N-[2-[(2,4-dinitrophenyl)thio]-4-ox...) Show SMILES CS(=O)(=O)Nn1c(Sc2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)nc2sc(cc2c1=O)-c1ccccc1 Show InChI InChI=1S/C19H13N5O7S3/c1-34(30,31)21-22-18(25)15-10-16(11-5-3-2-4-6-11)33-17(15)20-19(22)32-14-8-12(23(26)27)7-13(9-14)24(28)29/h2-10,21H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated human whole blood assessed as inhibition of PGE2 production by radioimmunoassay				Bioorg Med Chem 17: 1991-6 (2009) Article DOI: 10.1016/j.bmc.2009.01.029 BindingDB Entry DOI: 10.7270/Q24B316J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50276751 (2-[(3-Amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio]...) Show SMILES CC(Sc1nc2ccccc2c(=O)n1N)C(O)=O Show InChI InChI=1S/C11H11N3O3S/c1-6(10(16)17)18-11-13-8-5-3-2-4-7(8)9(15)14(11)12/h2-6H,12H2,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated human whole blood assessed as inhibition of PGE2 production by radioimmunoassay				Bioorg Med Chem 17: 1991-6 (2009) Article DOI: 10.1016/j.bmc.2009.01.029 BindingDB Entry DOI: 10.7270/Q24B316J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50276691 (CHEMBL513096 | [(3-Amino-6-bromo-4-oxo-3,4-dihydro...) Show SMILES Nn1c(SC(C(O)=O)c2ccccc2)nc2ccc(Br)cc2c1=O Show InChI InChI=1S/C16H12BrN3O3S/c17-10-6-7-12-11(8-10)14(21)20(18)16(19-12)24-13(15(22)23)9-4-2-1-3-5-9/h1-8,13H,18H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated human whole blood assessed as inhibition of PGE2 production by radioimmunoassay				Bioorg Med Chem 17: 1991-6 (2009) Article DOI: 10.1016/j.bmc.2009.01.029 BindingDB Entry DOI: 10.7270/Q24B316J
					More data for this Ligand-Target Pair