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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 413.5
BDBM50251796

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))
BDBM50251796
PNG
(4-(methyl(3-(methyl(2-oxo-2-(4-phenoxyphenylamino)...)
Show SMILES CN(CCCN(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1)CCCC(O)=O
Show InChI InChI=1S/C23H31N3O4/c1-25(15-6-10-23(28)29)16-7-17-26(2)18-22(27)24-19-11-13-21(14-12-19)30-20-8-4-3-5-9-20/h3-5,8-9,11-14H,6-7,10,15-18H2,1-2H3,(H,24,27)(H,28,29)
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PC cid
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Article
PubMed
n/an/a 110n/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))
BDBM50251796
PNG
(4-(methyl(3-(methyl(2-oxo-2-(4-phenoxyphenylamino)...)
Show SMILES CN(CCCN(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1)CCCC(O)=O
Show InChI InChI=1S/C23H31N3O4/c1-25(15-6-10-23(28)29)16-7-17-26(2)18-22(27)24-19-11-13-21(14-12-19)30-20-8-4-3-5-9-20/h3-5,8-9,11-14H,6-7,10,15-18H2,1-2H3,(H,24,27)(H,28,29)
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/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