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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 483.5
BDBM50251665

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))
BDBM50251665
PNG
(4-(2-(4-(4-(4-(oxazol-2-yl)phenoxy)phenylamino)pip...)
Show SMILES OC(=O)c1ccc(CCN2CCC(CC2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
Show InChI InChI=1S/C29H29N3O4/c33-29(34)23-3-1-21(2-4-23)13-17-32-18-14-25(15-19-32)31-24-7-11-27(12-8-24)36-26-9-5-22(6-10-26)28-30-16-20-35-28/h1-12,16,20,25,31H,13-15,17-19H2,(H,33,34)
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PC cid
PC sid
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Article
PubMed
n/an/a 3n/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))
BDBM50251665
PNG
(4-(2-(4-(4-(4-(oxazol-2-yl)phenoxy)phenylamino)pip...)
Show SMILES OC(=O)c1ccc(CCN2CCC(CC2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
Show InChI InChI=1S/C29H29N3O4/c33-29(34)23-3-1-21(2-4-23)13-17-32-18-14-25(15-19-32)31-24-7-11-27(12-8-24)36-26-9-5-22(6-10-26)28-30-16-20-35-28/h1-12,16,20,25,31H,13-15,17-19H2,(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 50n/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