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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 469.5
BDBM50251626

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))
BDBM50251626
PNG
(4-((4-(4-(4-(oxazol-2-yl)phenoxy)phenylamino)piper...)
Show SMILES OC(=O)c1ccc(CN2CCC(CC2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
Show InChI InChI=1S/C28H27N3O4/c32-28(33)22-3-1-20(2-4-22)19-31-16-13-24(14-17-31)30-23-7-11-26(12-8-23)35-25-9-5-21(6-10-25)27-29-15-18-34-27/h1-12,15,18,24,30H,13-14,16-17,19H2,(H,32,33)
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PC cid
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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251626
PNG
(4-((4-(4-(4-(oxazol-2-yl)phenoxy)phenylamino)piper...)
Show SMILES OC(=O)c1ccc(CN2CCC(CC2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
Show InChI InChI=1S/C28H27N3O4/c32-28(33)22-3-1-20(2-4-22)19-31-16-13-24(14-17-31)30-23-7-11-26(12-8-23)35-25-9-5-21(6-10-25)27-29-15-18-34-27/h1-12,15,18,24,30H,13-14,16-17,19H2,(H,32,33)
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 80n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair