Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50343911'   

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))	BDBM50343911 (3-Nitro-2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenoxy)py...) Show SMILES [O-][N+](=O)c1cccnc1Oc1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C17H19N3O4/c21-20(22)16-4-3-9-18-17(16)24-15-7-5-14(6-8-15)23-13-12-19-10-1-2-11-19/h3-9H,1-2,10-13H2	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs by ELISA				J Med Chem 54: 3650-60 (2011) Article DOI: 10.1021/jm200063s BindingDB Entry DOI: 10.7270/Q24M94WS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50343911 (3-Nitro-2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenoxy)py...) Show SMILES [O-][N+](=O)c1cccnc1Oc1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C17H19N3O4/c21-20(22)16-4-3-9-18-17(16)24-15-7-5-14(6-8-15)23-13-12-19-10-1-2-11-19/h3-9H,1-2,10-13H2	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of purified COX2 assessed as formation of oxidized TMPD during reduction og PGG2 to PGH2 preincubated for 15 mins by chromogenic assay				J Med Chem 54: 3650-60 (2011) Article DOI: 10.1021/jm200063s BindingDB Entry DOI: 10.7270/Q24M94WS
					More data for this Ligand-Target Pair