Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 351.4 BDBM50116555

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))	BDBM50116555 (CHEMBL118014 | [3-(4-Benzyl-phenoxy)-propyl]-methy...) Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCn1cnnn1 Show InChI InChI=1S/C20H25N5O/c1-24(13-14-25-17-21-22-23-25)12-5-15-26-20-10-8-19(9-11-20)16-18-6-3-2-4-7-18/h2-4,6-11,17H,5,12-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	560	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))	BDBM50116555 (CHEMBL118014 | [3-(4-Benzyl-phenoxy)-propyl]-methy...) Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCn1cnnn1 Show InChI InChI=1S/C20H25N5O/c1-24(13-14-25-17-21-22-23-25)12-5-15-26-20-10-8-19(9-11-20)16-18-6-3-2-4-7-18/h2-4,6-11,17H,5,12-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.65E+3	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