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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 282.3
BDBM50317490

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit 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))
BDBM50317490
PNG
((R/S)-2-((4-benzylphenoxy)methyl)piperazine | CHEM...)
Show SMILES C(Oc1ccc(Cc2ccccc2)cc1)C1CNCCN1
Show InChI InChI=1S/C18H22N2O/c1-2-4-15(5-3-1)12-16-6-8-18(9-7-16)21-14-17-13-19-10-11-20-17/h1-9,17,19-20H,10-14H2
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 342n/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