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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 267.3
BDBM50303658

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))
BDBM50303658
PNG
((2S)-2-[(4-Benzylphenoxy)methyl]pyrrolidine | CHEM...)
Show SMILES C(Oc1ccc(Cc2ccccc2)cc1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C18H21NO/c1-2-5-15(6-3-1)13-16-8-10-18(11-9-16)20-14-17-7-4-12-19-17/h1-3,5-6,8-11,17,19H,4,7,12-14H2/t17-/m0/s1
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MMDB

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Article
PubMed
n/an/a 244n/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


J Med Chem 53: 573-85 (2010)

Checked by Author
Article DOI: 10.1021/jm900838g
BindingDB Entry DOI: 10.7270/Q22F7NJD
More data for this
Ligand-Target Pair