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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 505.6
BDBM50251472

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))
BDBM50251472
PNG
(4-(((3-((2-(4-(2-hydroxy-2-phenylethoxy)phenylamin...)
Show SMILES CN(CCCN(C)Cc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(OCC(O)c2ccccc2)cc1
Show InChI InChI=1S/C29H35N3O5/c1-31(19-22-9-11-24(12-10-22)29(35)36)17-6-18-32(2)20-28(34)30-25-13-15-26(16-14-25)37-21-27(33)23-7-4-3-5-8-23/h3-5,7-16,27,33H,6,17-21H2,1-2H3,(H,30,34)(H,35,36)
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PC cid
PC sid
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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))
BDBM50251472
PNG
(4-(((3-((2-(4-(2-hydroxy-2-phenylethoxy)phenylamin...)
Show SMILES CN(CCCN(C)Cc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(OCC(O)c2ccccc2)cc1
Show InChI InChI=1S/C29H35N3O5/c1-31(19-22-9-11-24(12-10-22)29(35)36)17-6-18-32(2)20-28(34)30-25-13-15-26(16-14-25)37-21-27(33)23-7-4-3-5-8-23/h3-5,7-16,27,33H,6,17-21H2,1-2H3,(H,30,34)(H,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/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