Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 339.4 BDBM50121013

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))	BDBM50121013 ((S)-1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidine-2-c...) Show SMILES COC(=O)[C@@H]1CCCN1CCOc1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C21H25NO3/c1-24-21(23)20-8-5-13-22(20)14-15-25-19-11-9-18(10-12-19)16-17-6-3-2-4-7-17/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University (GNU) Curated by ChEMBL					Assay Description Inhibition of human leukotriene A4 hydrolase				Eur J Med Chem 46: 1593-603 (2011) Article DOI: 10.1016/j.ejmech.2011.02.007 BindingDB Entry DOI: 10.7270/Q2K64JDG
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50121013 ((S)-1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidine-2-c...) Show SMILES COC(=O)[C@@H]1CCCN1CCOc1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C21H25NO3/c1-24-21(23)20-8-5-13-22(20)14-15-25-19-11-9-18(10-12-19)16-17-6-3-2-4-7-17/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Inhibition of leukotriene A4 hydrolase in human recombinant assay				Bioorg Med Chem Lett 12: 3383-6 (2002) BindingDB Entry DOI: 10.7270/Q2N8795W
					More data for this Ligand-Target Pair