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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 506.5
BDBM50251827

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))
BDBM50251827
PNG
(4-((methyl(3-(methyl(2-oxo-2-(4-phenoxyphenylamino...)
Show SMILES CN(CCCN(C)Cc1ccc(cc1[N+]([O-])=O)C(O)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H30N4O6/c1-29(18-21-10-9-20(27(33)34)17-25(21)31(35)36)15-6-16-30(2)19-26(32)28-22-11-13-24(14-12-22)37-23-7-4-3-5-8-23/h3-5,7-14,17H,6,15-16,18-19H2,1-2H3,(H,28,32)(H,33,34)
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PC cid
PC sid
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n/an/a 15n/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))
BDBM50251827
PNG
(4-((methyl(3-(methyl(2-oxo-2-(4-phenoxyphenylamino...)
Show SMILES CN(CCCN(C)Cc1ccc(cc1[N+]([O-])=O)C(O)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H30N4O6/c1-29(18-21-10-9-20(27(33)34)17-25(21)31(35)36)15-6-16-30(2)19-26(32)28-22-11-13-24(14-12-22)37-23-7-4-3-5-8-23/h3-5,7-14,17H,6,15-16,18-19H2,1-2H3,(H,28,32)(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/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