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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 459.5
BDBM50251521

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))
BDBM50251521
PNG
(4-((4-(2-oxo-2-(4-phenoxyphenylamino)ethyl)-1,4-di...)
Show SMILES OC(=O)c1ccc(CN2CCCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1
Show InChI InChI=1S/C27H29N3O4/c31-26(28-23-11-13-25(14-12-23)34-24-5-2-1-3-6-24)20-30-16-4-15-29(17-18-30)19-21-7-9-22(10-8-21)27(32)33/h1-3,5-14H,4,15-20H2,(H,28,31)(H,32,33)
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n/an/a 70n/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))
BDBM50251521
PNG
(4-((4-(2-oxo-2-(4-phenoxyphenylamino)ethyl)-1,4-di...)
Show SMILES OC(=O)c1ccc(CN2CCCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1
Show InChI InChI=1S/C27H29N3O4/c31-26(28-23-11-13-25(14-12-23)34-24-5-2-1-3-6-24)20-30-16-4-15-29(17-18-30)19-21-7-9-22(10-8-21)27(32)33/h1-3,5-14H,4,15-20H2,(H,28,31)(H,32,33)
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 180n/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