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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 479.5
BDBM50251828

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))
BDBM50251828
PNG
(2-fluoro-4-((methyl(3-(methyl(2-oxo-2-(4-phenoxyph...)
Show SMILES CN(CCCN(C)Cc1ccc(C(O)=O)c(F)c1)CC(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H30FN3O4/c1-30(18-20-9-14-24(27(33)34)25(28)17-20)15-6-16-31(2)19-26(32)29-21-10-12-23(13-11-21)35-22-7-4-3-5-8-22/h3-5,7-14,17H,6,15-16,18-19H2,1-2H3,(H,29,32)(H,33,34)
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n/an/a 6n/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))
BDBM50251828
PNG
(2-fluoro-4-((methyl(3-(methyl(2-oxo-2-(4-phenoxyph...)
Show SMILES CN(CCCN(C)Cc1ccc(C(O)=O)c(F)c1)CC(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H30FN3O4/c1-30(18-20-9-14-24(27(33)34)25(28)17-20)15-6-16-31(2)19-26(32)29-21-10-12-23(13-11-21)35-22-7-4-3-5-8-22/h3-5,7-14,17H,6,15-16,18-19H2,1-2H3,(H,29,32)(H,33,34)
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 340n/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