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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
BDBM50121021

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))
BDBM50121021
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-piperidine-3-carbox...)
Show SMILES CCOC(=O)C1CCCN(CCOc2ccc(Cc3ccccc3)cc2)C1
Show InChI InChI=1S/C23H29NO3/c1-2-26-23(25)21-9-6-14-24(18-21)15-16-27-22-12-10-20(11-13-22)17-19-7-4-3-5-8-19/h3-5,7-8,10-13,21H,2,6,9,14-18H2,1H3
PDB
MMDB

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Similars

PubMed
n/an/a>3.00E+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