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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 338.4
BDBM50121015

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))
BDBM50121015
PNG
(2-{1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidin-3-yl}...)
Show SMILES NC(=O)CC1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1
Show InChI InChI=1S/C21H26N2O2/c22-21(24)15-19-10-11-23(16-19)12-13-25-20-8-6-18(7-9-20)14-17-4-2-1-3-5-17/h1-9,19H,10-16H2,(H2,22,24)
PDB
MMDB

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Similars

PubMed
n/an/a 210n/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