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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 365.4
BDBM50121010

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))
BDBM50121010
PNG
(2-[2-(4-Benzyl-phenoxy)-ethyl]-2-aza-bicyclo[2.2.1...)
Show SMILES COC(=O)C1CC2CC1CN2CCOc1ccc(Cc2ccccc2)cc1 |THB:2:4:10.9:7|
Show InChI InChI=1S/C23H27NO3/c1-26-23(25)22-15-20-14-19(22)16-24(20)11-12-27-21-9-7-18(8-10-21)13-17-5-3-2-4-6-17/h2-10,19-20,22H,11-16H2,1H3
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MMDB

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PubMed
n/an/a 47n/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