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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 328.4
BDBM50125428
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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))
BDBM50125428
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-benzoimidazole |...)
Show SMILES C(Cn1cnc2ccccc12)Oc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C22H20N2O/c1-2-6-18(7-3-1)16-19-10-12-20(13-11-19)25-15-14-24-17-23-21-8-4-5-9-22(21)24/h1-13,17H,14-16H2
PDB
MMDB

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CHEMBL
PC cid
PC sid
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Similars

PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human leukotriene A4 hydrolase.


Bioorg Med Chem Lett 13: 1137-9 (2003)


BindingDB Entry DOI: 10.7270/Q2891587
More data for this
Ligand-Target Pair