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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 229.2
BDBM50246062
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits 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))
BDBM50246062
PNG
(2-(4-phenoxyphenoxy)ethanamine | CHEMBL472386)
Show SMILES NCCOc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C14H15NO2/c15-10-11-16-12-6-8-14(9-7-12)17-13-4-2-1-3-5-13/h1-9H,10-11,15H2
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Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of epoxide hydrolase activity of human leukotriene A4 hydrolase assessed as LTB4 level by ELISA


J Med Chem 51: 7882-8 (2008)


Article DOI: 10.1021/jm8010096
BindingDB Entry DOI: 10.7270/Q2VH5NQQ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50246062
PNG
(2-(4-phenoxyphenoxy)ethanamine | CHEMBL472386)
Show SMILES NCCOc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C14H15NO2/c15-10-11-16-12-6-8-14(9-7-12)17-13-4-2-1-3-5-13/h1-9H,10-11,15H2
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Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of epoxide hydrolase activity of human recombinant leukotriene A4 hydrolase expressed in Escherichia coli assessed as LTB4 production by R...


Bioorg Med Chem Lett 18: 6549-52 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.044
BindingDB Entry DOI: 10.7270/Q2KS6RDK
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50246062
PNG
(2-(4-phenoxyphenoxy)ethanamine | CHEMBL472386)
Show SMILES NCCOc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C14H15NO2/c15-10-11-16-12-6-8-14(9-7-12)17-13-4-2-1-3-5-13/h1-9H,10-11,15H2
PDB
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Article
PubMed
n/an/a 228n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase activity of human recombinant leukotriene A4 hydrolase expressed in Escherichia coli assessed as p-nitroanilide release ...


Bioorg Med Chem Lett 18: 6549-52 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.044
BindingDB Entry DOI: 10.7270/Q2KS6RDK
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50246062
PNG
(2-(4-phenoxyphenoxy)ethanamine | CHEMBL472386)
Show SMILES NCCOc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C14H15NO2/c15-10-11-16-12-6-8-14(9-7-12)17-13-4-2-1-3-5-13/h1-9H,10-11,15H2
PDB
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Article
PubMed
n/an/a 228n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase activity of human leukotriene A4 hydrolase assessed as para-nitroanilide release by spectrophotometry


J Med Chem 51: 7882-8 (2008)


Article DOI: 10.1021/jm8010096
BindingDB Entry DOI: 10.7270/Q2VH5NQQ
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50246062
PNG
(2-(4-phenoxyphenoxy)ethanamine | CHEMBL472386)
Show SMILES NCCOc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C14H15NO2/c15-10-11-16-12-6-8-14(9-7-12)17-13-4-2-1-3-5-13/h1-9H,10-11,15H2
PDB
MMDB

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Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human nonpancreatic secretory phospholipase A2


J Med Chem 51: 7882-8 (2008)


Article DOI: 10.1021/jm8010096
BindingDB Entry DOI: 10.7270/Q2VH5NQQ
More data for this
Ligand-Target Pair