Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 301.3 BDBM50317499

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

Found 2 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))	BDBM50317499 ((S)-2-((4-(4-fluorophenoxy)phenoxy)methyl)piperidi...) Show SMILES Fc1ccc(Oc2ccc(OC[C@@H]3CCCCN3)cc2)cc1 |r| Show InChI InChI=1S/C18H20FNO2/c19-14-4-6-17(7-5-14)22-18-10-8-16(9-11-18)21-13-15-3-1-2-12-20-15/h4-11,15,20H,1-3,12-13H2/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human LTA4H hydrolysis assessed as inhibition of Ca2+ ionophore-stimulated LTB4 formation in human whole blood by ELISA				Bioorg Med Chem Lett 20: 2851-4 (2010) Article DOI: 10.1016/j.bmcl.2010.03.047 BindingDB Entry DOI: 10.7270/Q2CC10VD
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50317499 ((S)-2-((4-(4-fluorophenoxy)phenoxy)methyl)piperidi...) Show SMILES Fc1ccc(Oc2ccc(OC[C@@H]3CCCCN3)cc2)cc1 |r| Show InChI InChI=1S/C18H20FNO2/c19-14-4-6-17(7-5-14)22-18-10-8-16(9-11-18)21-13-15-3-1-2-12-20-15/h4-11,15,20H,1-3,12-13H2/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS				Bioorg Med Chem Lett 20: 2851-4 (2010) Article DOI: 10.1016/j.bmcl.2010.03.047 BindingDB Entry DOI: 10.7270/Q2CC10VD
					More data for this Ligand-Target Pair