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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 200.2
BDBM50303655
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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))
BDBM50303655
PNG
(2-(pyridin-3-ylmethoxy)aniline | CHEMBL566838)
Show SMILES Nc1ccccc1OCc1cccnc1
Show InChI InChI=1S/C12H12N2O/c13-11-5-1-2-6-12(11)15-9-10-4-3-7-14-8-10/h1-8H,9,13H2
PDB
MMDB

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CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
n/an/a>2.00E+6n/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
3D
3D Structure (crystal)