Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 313.3 BDBM50116547

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 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))	BDBM50116547 (3-[2-(4-Benzyl-phenoxy)-ethylamino]-propionic acid...) Show SMILES COC(=O)CCNCCOc1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C19H23NO3/c1-22-19(21)11-12-20-13-14-23-18-9-7-17(8-10-18)15-16-5-3-2-4-6-16/h2-10,20H,11-15H2,1H3	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	220	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))	BDBM50116547 (3-[2-(4-Benzyl-phenoxy)-ethylamino]-propionic acid...) Show SMILES COC(=O)CCNCCOc1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C19H23NO3/c1-22-19(21)11-12-20-13-14-23-18-9-7-17(8-10-18)15-16-5-3-2-4-6-16/h2-10,20H,11-15H2,1H3	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	220	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))	BDBM50116547 (3-[2-(4-Benzyl-phenoxy)-ethylamino]-propionic acid...) Show SMILES COC(=O)CCNCCOc1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C19H23NO3/c1-22-19(21)11-12-20-13-14-23-18-9-7-17(8-10-18)15-16-5-3-2-4-6-16/h2-10,20H,11-15H2,1H3	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	590	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