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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 430.4
BDBM24216

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))
BDBM24216
PNG
(1-{2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl}-4-p...)
Show SMILES OC1(CCN(CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H26N2O4/c29-26(20-6-2-1-3-7-20)14-16-28(17-15-26)18-19-30-21-10-12-22(13-11-21)31-25-27-23-8-4-5-9-24(23)32-25/h1-13,29H,14-19H2
PDB
MMDB

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Similars

Article
PubMed
n/an/a 6n/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