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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 389.8
BDBM50317481

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))
BDBM50317481
PNG
((S)-3-(2-((4-(4-chlorophenoxy)phenoxy)methyl)piper...)
Show SMILES OC(=O)CCN1CCCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C21H24ClNO4/c22-16-4-6-19(7-5-16)27-20-10-8-18(9-11-20)26-15-17-3-1-2-13-23(17)14-12-21(24)25/h4-11,17H,1-3,12-15H2,(H,24,25)/t17-/m0/s1
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MMDB

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Article
PubMed
n/an/a 212n/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