Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 341.4 BDBM50116551

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))	BDBM50116551 (4-{[2-(4-Benzyl-phenoxy)-ethyl]-methyl-amino}-buty...) Show SMILES COC(=O)CCCN(C)CCOc1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C21H27NO3/c1-22(14-6-9-21(23)24-2)15-16-25-20-12-10-19(11-13-20)17-18-7-4-3-5-8-18/h3-5,7-8,10-13H,6,9,14-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	450	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
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50116551 (4-{[2-(4-Benzyl-phenoxy)-ethyl]-methyl-amino}-buty...) Show SMILES COC(=O)CCCN(C)CCOc1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C21H27NO3/c1-22(14-6-9-21(23)24-2)15-16-25-20-12-10-19(11-13-20)17-18-7-4-3-5-8-18/h3-5,7-8,10-13H,6,9,14-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	460	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