Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 328.3 BDBM50343926

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
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50343926 (1-(2-(4-(3-Nitrophenoxy)phenoxy)ethyl)pyrrolidine ...) Show SMILES [O-][N+](=O)c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1 Show InChI InChI=1S/C18H20N2O4/c21-20(22)15-4-3-5-18(14-15)24-17-8-6-16(7-9-17)23-13-12-19-10-1-2-11-19/h3-9,14H,1-2,10-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	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
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50343926 (1-(2-(4-(3-Nitrophenoxy)phenoxy)ethyl)pyrrolidine ...) Show SMILES [O-][N+](=O)c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1 Show InChI InChI=1S/C18H20N2O4/c21-20(22)15-4-3-5-18(14-15)24-17-8-6-16(7-9-17)23-13-12-19-10-1-2-11-19/h3-9,14H,1-2,10-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	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))	BDBM50343926 (1-(2-(4-(3-Nitrophenoxy)phenoxy)ethyl)pyrrolidine ...) Show SMILES [O-][N+](=O)c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1 Show InChI InChI=1S/C18H20N2O4/c21-20(22)15-4-3-5-18(14-15)24-17-8-6-16(7-9-17)23-13-12-19-10-1-2-11-19/h3-9,14H,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	1.30E+4	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 1 (Homo sapiens (Human))	BDBM50343926 (1-(2-(4-(3-Nitrophenoxy)phenoxy)ethyl)pyrrolidine ...) Show SMILES [O-][N+](=O)c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1 Show InChI InChI=1S/C18H20N2O4/c21-20(22)15-4-3-5-18(14-15)24-17-8-6-16(7-9-17)23-13-12-19-10-1-2-11-19/h3-9,14H,1-2,10-13H2	PDB UniProtKB/SwissProt 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 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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50343926 (1-(2-(4-(3-Nitrophenoxy)phenoxy)ethyl)pyrrolidine ...) Show SMILES [O-][N+](=O)c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1 Show InChI InChI=1S/C18H20N2O4/c21-20(22)15-4-3-5-18(14-15)24-17-8-6-16(7-9-17)23-13-12-19-10-1-2-11-19/h3-9,14H,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