Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 417.5 BDBM50251795

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))	BDBM50251795 (2-((3-(benzyl(methyl)amino)propyl)(methyl)amino)-N...) Show SMILES CN(CCCN(C)Cc1ccccc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H31N3O2/c1-28(20-22-10-5-3-6-11-22)18-9-19-29(2)21-26(30)27-23-14-16-25(17-15-23)31-24-12-7-4-8-13-24/h3-8,10-17H,9,18-21H2,1-2H3,(H,27,30)	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	90	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of LTA4 hydrolase (unknown origin) by hydrolase assay				Bioorg Med Chem Lett 18: 3891-4 (2008) Article DOI: 10.1016/j.bmcl.2008.06.046 BindingDB Entry DOI: 10.7270/Q20P0ZTV
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50251795 (2-((3-(benzyl(methyl)amino)propyl)(methyl)amino)-N...) Show SMILES CN(CCCN(C)Cc1ccccc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H31N3O2/c1-28(20-22-10-5-3-6-11-22)18-9-19-29(2)21-26(30)27-23-14-16-25(17-15-23)31-24-12-7-4-8-13-24/h3-8,10-17H,9,18-21H2,1-2H3,(H,27,30)	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	350	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of LTA4 hydrolase (unknown origin) by whole blood assay				Bioorg Med Chem Lett 18: 3891-4 (2008) Article DOI: 10.1016/j.bmcl.2008.06.046 BindingDB Entry DOI: 10.7270/Q20P0ZTV
					More data for this Ligand-Target Pair