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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 330.3
BDBM50125419

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))
BDBM50125419
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-purine | CHEMBL1...)
Show SMILES C(Cn1cnc2ncnc2c1)Oc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C20H18N4O/c1-2-4-16(5-3-1)12-17-6-8-18(9-7-17)25-11-10-24-13-19-20(23-15-24)22-14-21-19/h1-9,13-15H,10-12H2
PDB
MMDB

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Similars

PubMed
n/an/a 180n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human leukotriene A4 hydrolase.


Bioorg Med Chem Lett 13: 1137-9 (2003)


BindingDB Entry DOI: 10.7270/Q2891587
More data for this
Ligand-Target Pair