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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
BDBM50251499

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

Found 2 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))
BDBM50251499
PNG
(4-((3-(methyl(2-oxo-2-(4-phenoxyphenylamino)ethyl)...)
Show SMILES CN(CCCNCc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H29N3O4/c1-29(17-5-16-27-18-20-8-10-21(11-9-20)26(31)32)19-25(30)28-22-12-14-24(15-13-22)33-23-6-3-2-4-7-23/h2-4,6-15,27H,5,16-19H2,1H3,(H,28,30)(H,31,32)
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n/an/a 19n/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))
BDBM50251499
PNG
(4-((3-(methyl(2-oxo-2-(4-phenoxyphenylamino)ethyl)...)
Show SMILES CN(CCCNCc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H29N3O4/c1-29(17-5-16-27-18-20-8-10-21(11-9-20)26(31)32)19-25(30)28-22-12-14-24(15-13-22)33-23-6-3-2-4-7-23/h2-4,6-15,27H,5,16-19H2,1H3,(H,28,30)(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 420n/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