Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 351.3 BDBM50343914

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))	BDBM50343914 (1-(2-(4-(4-(Trifluoromethyl)phenoxy)phenoxy)ethyl)...) Show SMILES FC(F)(F)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1 Show InChI InChI=1S/C19H20F3NO2/c20-19(21,22)15-3-5-17(6-4-15)25-18-9-7-16(8-10-18)24-14-13-23-11-1-2-12-23/h3-10H,1-2,11-14H2	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	390	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))	BDBM50343914 (1-(2-(4-(4-(Trifluoromethyl)phenoxy)phenoxy)ethyl)...) Show SMILES FC(F)(F)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1 Show InChI InChI=1S/C19H20F3NO2/c20-19(21,22)15-3-5-17(6-4-15)25-18-9-7-16(8-10-18)24-14-13-23-11-1-2-12-23/h3-10H,1-2,11-14H2	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	2.00E+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))	BDBM50343914 (1-(2-(4-(4-(Trifluoromethyl)phenoxy)phenoxy)ethyl)...) Show SMILES FC(F)(F)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1 Show InChI InChI=1S/C19H20F3NO2/c20-19(21,22)15-3-5-17(6-4-15)25-18-9-7-16(8-10-18)24-14-13-23-11-1-2-12-23/h3-10H,1-2,11-14H2	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
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50343914 (1-(2-(4-(4-(Trifluoromethyl)phenoxy)phenoxy)ethyl)...) Show SMILES FC(F)(F)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1 Show InChI InChI=1S/C19H20F3NO2/c20-19(21,22)15-3-5-17(6-4-15)25-18-9-7-16(8-10-18)24-14-13-23-11-1-2-12-23/h3-10H,1-2,11-14H2	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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50343914 (1-(2-(4-(4-(Trifluoromethyl)phenoxy)phenoxy)ethyl)...) Show SMILES FC(F)(F)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1 Show InChI InChI=1S/C19H20F3NO2/c20-19(21,22)15-3-5-17(6-4-15)25-18-9-7-16(8-10-18)24-14-13-23-11-1-2-12-23/h3-10H,1-2,11-14H2	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