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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 368.4
BDBM24214

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

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM24214
PNG
((1-{2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl}pip...)
Show SMILES OCC1CCN(CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1
Show InChI InChI=1S/C21H24N2O4/c24-15-16-9-11-23(12-10-16)13-14-25-17-5-7-18(8-6-17)26-21-22-19-3-1-2-4-20(19)27-21/h1-8,16,24H,9-15H2
PDB
MMDB

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Article
PubMed
n/an/a 14n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
Recombinant human LTA4H was incubated with various concentrations of test compound for 10 min at room temperature in assay buffer, and the substrate,...


J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
BindingDB Entry DOI: 10.7270/Q2GB22CX
More data for this
Ligand-Target Pair