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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Leukotriene A4 hydrolase' and Ligand = 'BDBM24220'   
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 A4 hydrolase


(Homo sapiens (Human))
BDBM24220
PNG
(1-(1-{2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl...)
Show SMILES O=C1CCCN1C1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
Show InChI InChI=1S/C24H27N3O3S/c28-23-6-3-13-27(23)18-11-14-26(15-12-18)16-17-29-19-7-9-20(10-8-19)30-24-25-21-4-1-2-5-22(21)31-24/h1-2,4-5,7-10,18H,3,6,11-17H2
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n/an/a 9.70n/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LTA4H expressed in Sf9 cells using LTA4 as substrate incubated for 10 mins prior to substrate addition measured after...


Bioorg Med Chem Lett 23: 811-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.074
BindingDB Entry DOI: 10.7270/Q27H1KW1
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM24220
PNG
(1-(1-{2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl...)
Show SMILES O=C1CCCN1C1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
Show InChI InChI=1S/C24H27N3O3S/c28-23-6-3-13-27(23)18-11-14-26(15-12-18)16-17-29-19-7-9-20(10-8-19)30-24-25-21-4-1-2-5-22(21)31-24/h1-2,4-5,7-10,18H,3,6,11-17H2
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n/an/a 16n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
Recombinant human LTA4H was incubated with various concentrations of test compound for 10 min at room temperature in assay buffer, and the substrate,...


J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
BindingDB Entry DOI: 10.7270/Q2GB22CX
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM24220
PNG
(1-(1-{2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl...)
Show SMILES O=C1CCCN1C1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
Show InChI InChI=1S/C24H27N3O3S/c28-23-6-3-13-27(23)18-11-14-26(15-12-18)16-17-29-19-7-9-20(10-8-19)30-24-25-21-4-1-2-5-22(21)31-24/h1-2,4-5,7-10,18H,3,6,11-17H2
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Article
PubMed
n/an/a 365n/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of LTA4H in human whole blood assessed as decrease in LTB4 production


Bioorg Med Chem Lett 23: 811-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.074
BindingDB Entry DOI: 10.7270/Q27H1KW1
More data for this
Ligand-Target Pair