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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 447.5
BDBM50251501

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

Found 3 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))
BDBM50251501
PNG
(4-((methyl(2-(methyl(2-oxo-2-(4-phenoxyphenylamino...)
Show SMILES CN(CCN(C)Cc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H29N3O4/c1-28(18-20-8-10-21(11-9-20)26(31)32)16-17-29(2)19-25(30)27-22-12-14-24(15-13-22)33-23-6-4-3-5-7-23/h3-15H,16-19H2,1-2H3,(H,27,30)(H,31,32)
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n/an/a 15n/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))
BDBM50251501
PNG
(4-((methyl(2-(methyl(2-oxo-2-(4-phenoxyphenylamino...)
Show SMILES CN(CCN(C)Cc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H29N3O4/c1-28(18-20-8-10-21(11-9-20)26(31)32)16-17-29(2)19-25(30)27-22-12-14-24(15-13-22)33-23-6-4-3-5-7-23/h3-15H,16-19H2,1-2H3,(H,27,30)(H,31,32)
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n/an/a 15n/an/an/an/an/an/a



Gyeongsang National University (GNU)

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A4 hydrolase


Eur J Med Chem 46: 1593-603 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.007
BindingDB Entry DOI: 10.7270/Q2K64JDG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251501
PNG
(4-((methyl(2-(methyl(2-oxo-2-(4-phenoxyphenylamino...)
Show SMILES CN(CCN(C)Cc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H29N3O4/c1-28(18-20-8-10-21(11-9-20)26(31)32)16-17-29(2)19-25(30)27-22-12-14-24(15-13-22)33-23-6-4-3-5-7-23/h3-15H,16-19H2,1-2H3,(H,27,30)(H,31,32)
PDB
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Reactome pathway
KEGG

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PC sid
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Article
PubMed
n/an/a 140n/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