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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 325.4
BDBM50121001

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))
BDBM50121001
PNG
(CHEMBL114494 | {1-[2-(4-Benzyl-phenoxy)-ethyl]-pip...)
Show SMILES OCC1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
Show InChI InChI=1S/C21H27NO2/c23-17-20-10-12-22(13-11-20)14-15-24-21-8-6-19(7-9-21)16-18-4-2-1-3-5-18/h1-9,20,23H,10-17H2
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 52n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of leukotriene A4 hydrolase in human recombinant assay


Bioorg Med Chem Lett 12: 3383-6 (2002)


BindingDB Entry DOI: 10.7270/Q2N8795W
More data for this
Ligand-Target Pair