Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 373.3 BDBM50343903

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   

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))	BDBM50343903 (1-(2-(4-(2,4-Dinitrophenoxy)phenoxy)ethyl)pyrrolid...) Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C18H19N3O6/c22-20(23)14-3-8-18(17(13-14)21(24)25)27-16-6-4-15(5-7-16)26-12-11-19-9-1-2-10-19/h3-8,13H,1-2,9-12H2	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+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
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50343903 (1-(2-(4-(2,4-Dinitrophenoxy)phenoxy)ethyl)pyrrolid...) Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C18H19N3O6/c22-20(23)14-3-8-18(17(13-14)21(24)25)27-16-6-4-15(5-7-16)26-12-11-19-9-1-2-10-19/h3-8,13H,1-2,9-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Peking University Curated by ChEMBL					Assay Description Inhibition of purified COX1 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
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50343903 (1-(2-(4-(2,4-Dinitrophenoxy)phenoxy)ethyl)pyrrolid...) Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C18H19N3O6/c22-20(23)14-3-8-18(17(13-14)21(24)25)27-16-6-4-15(5-7-16)26-12-11-19-9-1-2-10-19/h3-8,13H,1-2,9-12H2	PDB MMDB 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+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human LTA4 hydrolase activity assessed as LTB4 production after 15 mins 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))	BDBM50343903 (1-(2-(4-(2,4-Dinitrophenoxy)phenoxy)ethyl)pyrrolid...) Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C18H19N3O6/c22-20(23)14-3-8-18(17(13-14)21(24)25)27-16-6-4-15(5-7-16)26-12-11-19-9-1-2-10-19/h3-8,13H,1-2,9-12H2	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+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
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50343903 (1-(2-(4-(2,4-Dinitrophenoxy)phenoxy)ethyl)pyrrolid...) Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C18H19N3O6/c22-20(23)14-3-8-18(17(13-14)21(24)25)27-16-6-4-15(5-7-16)26-12-11-19-9-1-2-10-19/h3-8,13H,1-2,9-12H2	PDB MMDB 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+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human LTA4 hydrolase activity assessed as LTB4 production after 15 mins 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