Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 379.4 BDBM50121000

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))	BDBM50121000 (CHEMBL116174 | {2-[2-(4-Benzyl-phenoxy)-ethyl]-2-a...) Show SMILES COC(=O)CC1CC2CC1CN2CCOc1ccc(Cc2ccccc2)cc1 |THB:4:5:11.10:8| Show InChI InChI=1S/C24H29NO3/c1-27-24(26)16-20-14-22-15-21(20)17-25(22)11-12-28-23-9-7-19(8-10-23)13-18-5-3-2-4-6-18/h2-10,20-22H,11-17H2,1H3	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	15	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
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50121000 (CHEMBL116174 | {2-[2-(4-Benzyl-phenoxy)-ethyl]-2-a...) Show SMILES COC(=O)CC1CC2CC1CN2CCOc1ccc(Cc2ccccc2)cc1 |THB:4:5:11.10:8| Show InChI InChI=1S/C24H29NO3/c1-27-24(26)16-20-14-22-15-21(20)17-25(22)11-12-28-23-9-7-19(8-10-23)13-18-5-3-2-4-6-18/h2-10,20-22H,11-17H2,1H3	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	15	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