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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 473.5
BDBM50251586

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))
BDBM50251586
PNG
((S)-4-((2-((methyl(2-oxo-2-(4-phenoxyphenylamino)e...)
Show SMILES CN(C[C@@H]1CCCN1Cc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C28H31N3O4/c1-30(19-24-6-5-17-31(24)18-21-9-11-22(12-10-21)28(33)34)20-27(32)29-23-13-15-26(16-14-23)35-25-7-3-2-4-8-25/h2-4,7-16,24H,5-6,17-20H2,1H3,(H,29,32)(H,33,34)/t24-/m0/s1
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n/an/a 100n/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))
BDBM50251586
PNG
((S)-4-((2-((methyl(2-oxo-2-(4-phenoxyphenylamino)e...)
Show SMILES CN(C[C@@H]1CCCN1Cc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C28H31N3O4/c1-30(19-24-6-5-17-31(24)18-21-9-11-22(12-10-21)28(33)34)20-27(32)29-23-13-15-26(16-14-23)35-25-7-3-2-4-8-25/h2-4,7-16,24H,5-6,17-20H2,1H3,(H,29,32)(H,33,34)/t24-/m0/s1
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 200n/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