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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 367.4
BDBM50121020

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))
BDBM50121020
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-piperidine-4-carbox...)
Show SMILES CCOC(=O)C1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
Show InChI InChI=1S/C23H29NO3/c1-2-26-23(25)21-12-14-24(15-13-21)16-17-27-22-10-8-20(9-11-22)18-19-6-4-3-5-7-19/h3-11,21H,2,12-18H2,1H3
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MMDB

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PubMed
n/an/a 1.80E+3n/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