Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 283.3 BDBM50317495

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))	BDBM50317495 ((S)-2-((4-phenoxyphenoxy)methyl)piperidine | CHEMB...) Show SMILES C(Oc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCCN1 |r| Show InChI InChI=1S/C18H21NO2/c1-2-7-17(8-3-1)21-18-11-9-16(10-12-18)20-14-15-6-4-5-13-19-15/h1-3,7-12,15,19H,4-6,13-14H2/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	44	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
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50317495 ((S)-2-((4-phenoxyphenoxy)methyl)piperidine | CHEMB...) Show SMILES C(Oc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCCN1 |r| Show InChI InChI=1S/C18H21NO2/c1-2-7-17(8-3-1)21-18-11-9-16(10-12-18)20-14-15-6-4-5-13-19-15/h1-3,7-12,15,19H,4-6,13-14H2/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	286	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