Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 310.4 BDBM50085284Purchase

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))	BDBM50085284 (1-[2-(4-Benzyl-phenoxy)-ethyl]-4-methyl-piperazine...) Show SMILES CN1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1 Show InChI InChI=1S/C20H26N2O/c1-21-11-13-22(14-12-21)15-16-23-20-9-7-19(8-10-20)17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity was determined against Leukotriene A4 hydrolase				J Med Chem 43: 721-35 (2000) BindingDB Entry DOI: 10.7270/Q2CN74MZ
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50085284 (1-[2-(4-Benzyl-phenoxy)-ethyl]-4-methyl-piperazine...) Show SMILES CN1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1 Show InChI InChI=1S/C20H26N2O/c1-21-11-13-22(14-12-21)15-16-23-20-9-7-19(8-10-20)17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity was determined for LTB4 production in human whole blood.				J Med Chem 43: 721-35 (2000) BindingDB Entry DOI: 10.7270/Q2CN74MZ
					More data for this Ligand-Target Pair