Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 273.4 BDBM50085304

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

Found 1 hit 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))	BDBM50085304 (1-[2-(4-Phenyl-cyclohexyloxy)-ethyl]-pyrrolidine |...) Show SMILES C(CN1CCCC1)O[C@H]1CCC(CC1)c1ccccc1 |wD:8.8,(17.26,-14.76,;18.61,-15.52,;19.93,-14.75,;21.34,-15.36,;22.37,-14.22,;21.58,-12.89,;20.09,-13.21,;15.94,-15.56,;14.54,-16.21,;13.25,-15.33,;11.87,-16.01,;11.76,-17.53,;13.02,-18.42,;14.41,-17.74,;10.36,-18.19,;10.25,-19.71,;8.85,-20.38,;7.59,-19.51,;7.71,-17.97,;9.1,-17.3,)| Show InChI InChI=1S/C18H27NO/c1-2-6-16(7-3-1)17-8-10-18(11-9-17)20-15-14-19-12-4-5-13-19/h1-3,6-7,17-18H,4-5,8-15H2/t17?,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>3.00E+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 against Leukotriene A4 hydrolase				J Med Chem 43: 721-35 (2000) BindingDB Entry DOI: 10.7270/Q2CN74MZ
					More data for this Ligand-Target Pair