Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 369.4 BDBM50116539

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))	BDBM50116539 (3-{[4-(4-Benzyl-phenoxy)-butyl]-methyl-amino}-prop...) Show SMILES CCOC(=O)CCN(C)CCCCOc1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C23H31NO3/c1-3-26-23(25)15-17-24(2)16-7-8-18-27-22-13-11-21(12-14-22)19-20-9-5-4-6-10-20/h4-6,9-14H,3,7-8,15-19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human whole blood LTB-4 production (Leukotriene B-4).				J Med Chem 45: 3482-90 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KMF
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50116539 (3-{[4-(4-Benzyl-phenoxy)-butyl]-methyl-amino}-prop...) Show SMILES CCOC(=O)CCN(C)CCCCOc1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C23H31NO3/c1-3-26-23(25)15-17-24(2)16-7-8-18-27-22-13-11-21(12-14-22)19-20-9-5-4-6-10-20/h4-6,9-14H,3,7-8,15-19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human leukotriene A4 hydrolase (LTA-4).				J Med Chem 45: 3482-90 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KMF
					More data for this Ligand-Target Pair