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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 359.4
BDBM50317497

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))
BDBM50317497
PNG
((S)-2-((4-(biphenyl-4-yloxy)phenoxy)methyl)piperid...)
Show SMILES C(Oc1ccc(Oc2ccc(cc2)-c2ccccc2)cc1)[C@@H]1CCCCN1 |r|
Show InChI InChI=1S/C24H25NO2/c1-2-6-19(7-3-1)20-9-11-23(12-10-20)27-24-15-13-22(14-16-24)26-18-21-8-4-5-17-25-21/h1-3,6-7,9-16,21,25H,4-5,8,17-18H2/t21-/m0/s1
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Similars

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human LTA4H hydrolysis assessed as inhibition of Ca2+ ionophore-stimulated LTB4 formation in human whole blood by ELISA


Bioorg Med Chem Lett 20: 2851-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.047
BindingDB Entry DOI: 10.7270/Q2CC10VD
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50317497
PNG
((S)-2-((4-(biphenyl-4-yloxy)phenoxy)methyl)piperid...)
Show SMILES C(Oc1ccc(Oc2ccc(cc2)-c2ccccc2)cc1)[C@@H]1CCCCN1 |r|
Show InChI InChI=1S/C24H25NO2/c1-2-6-19(7-3-1)20-9-11-23(12-10-20)27-24-15-13-22(14-16-24)26-18-21-8-4-5-17-25-21/h1-3,6-7,9-16,21,25H,4-5,8,17-18H2/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 114n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS


Bioorg Med Chem Lett 20: 2851-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.047
BindingDB Entry DOI: 10.7270/Q2CC10VD
More data for this
Ligand-Target Pair