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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 487.5
BDBM50251555

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

Found 4 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))
BDBM50251555
PNG
(4-((methyl((1-(2-oxo-2-(4-phenoxyphenylamino)ethyl...)
Show SMILES CN(CC1CCCCN1CC(=O)Nc1ccc(Oc2ccccc2)cc1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H33N3O4/c1-31(19-22-10-12-23(13-11-22)29(34)35)20-25-7-5-6-18-32(25)21-28(33)30-24-14-16-27(17-15-24)36-26-8-3-2-4-9-26/h2-4,8-17,25H,5-7,18-21H2,1H3,(H,30,33)(H,34,35)
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n/an/a 16n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin) by hydrolase assay


Bioorg Med Chem Lett 18: 3891-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.046
BindingDB Entry DOI: 10.7270/Q20P0ZTV
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251555
PNG
(4-((methyl((1-(2-oxo-2-(4-phenoxyphenylamino)ethyl...)
Show SMILES CN(CC1CCCCN1CC(=O)Nc1ccc(Oc2ccccc2)cc1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H33N3O4/c1-31(19-22-10-12-23(13-11-22)29(34)35)20-25-7-5-6-18-32(25)21-28(33)30-24-14-16-27(17-15-24)36-26-8-3-2-4-9-26/h2-4,8-17,25H,5-7,18-21H2,1H3,(H,30,33)(H,34,35)
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n/an/a 17n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin) by hydrolase assay


Bioorg Med Chem Lett 18: 3891-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.046
BindingDB Entry DOI: 10.7270/Q20P0ZTV
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251555
PNG
(4-((methyl((1-(2-oxo-2-(4-phenoxyphenylamino)ethyl...)
Show SMILES CN(CC1CCCCN1CC(=O)Nc1ccc(Oc2ccccc2)cc1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H33N3O4/c1-31(19-22-10-12-23(13-11-22)29(34)35)20-25-7-5-6-18-32(25)21-28(33)30-24-14-16-27(17-15-24)36-26-8-3-2-4-9-26/h2-4,8-17,25H,5-7,18-21H2,1H3,(H,30,33)(H,34,35)
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n/an/a 60n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin) by whole blood assay


Bioorg Med Chem Lett 18: 3891-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.046
BindingDB Entry DOI: 10.7270/Q20P0ZTV
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251555
PNG
(4-((methyl((1-(2-oxo-2-(4-phenoxyphenylamino)ethyl...)
Show SMILES CN(CC1CCCCN1CC(=O)Nc1ccc(Oc2ccccc2)cc1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H33N3O4/c1-31(19-22-10-12-23(13-11-22)29(34)35)20-25-7-5-6-18-32(25)21-28(33)30-24-14-16-27(17-15-24)36-26-8-3-2-4-9-26/h2-4,8-17,25H,5-7,18-21H2,1H3,(H,30,33)(H,34,35)
PDB
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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin) by whole blood assay


Bioorg Med Chem Lett 18: 3891-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.046
BindingDB Entry DOI: 10.7270/Q20P0ZTV
More data for this
Ligand-Target Pair