Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 308.4 BDBM50085270

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))	BDBM50085270 (2-[2-(4-Benzyl-phenoxy)-ethyl]-2,5-diaza-bicyclo[2...) Show SMILES C(CN1CC2CC1CN2)Oc1ccc(Cc2ccccc2)cc1 |THB:1:2:5:8.7| Show InChI InChI=1S/C20H24N2O/c1-2-4-16(5-3-1)12-17-6-8-20(9-7-17)23-11-10-22-15-18-13-19(22)14-21-18/h1-9,18-19,21H,10-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	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))	BDBM50085270 (2-[2-(4-Benzyl-phenoxy)-ethyl]-2,5-diaza-bicyclo[2...) Show SMILES C(CN1CC2CC1CN2)Oc1ccc(Cc2ccccc2)cc1 |THB:1:2:5:8.7| Show InChI InChI=1S/C20H24N2O/c1-2-4-16(5-3-1)12-17-6-8-20(9-7-17)23-11-10-22-15-18-13-19(22)14-21-18/h1-9,18-19,21H,10-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	410	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