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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
BDBM50251554

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))
BDBM50251554
PNG
(4-((methyl(1-(2-oxo-2-(4-phenoxyphenylamino)ethyl)...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)C1CCCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C29H33N3O4/c1-31(20-22-9-11-23(12-10-22)29(34)35)25-6-5-18-32(19-17-25)21-28(33)30-24-13-15-27(16-14-24)36-26-7-3-2-4-8-26/h2-4,7-16,25H,5-6,17-21H2,1H3,(H,30,33)(H,34,35)
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Article
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n/an/a 140n/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))
BDBM50251554
PNG
(4-((methyl(1-(2-oxo-2-(4-phenoxyphenylamino)ethyl)...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)C1CCCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C29H33N3O4/c1-31(20-22-9-11-23(12-10-22)29(34)35)25-6-5-18-32(19-17-25)21-28(33)30-24-13-15-27(16-14-24)36-26-7-3-2-4-8-26/h2-4,7-16,25H,5-6,17-21H2,1H3,(H,30,33)(H,34,35)
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 220n/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