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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 354.4
BDBM50125429

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))
BDBM50125429
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-c]py...)
Show SMILES N#Cc1nccc2n(CCOc3ccc(Cc4ccccc4)cc3)cnc12
Show InChI InChI=1S/C22H18N4O/c23-15-20-22-21(10-11-24-20)26(16-25-22)12-13-27-19-8-6-18(7-9-19)14-17-4-2-1-3-5-17/h1-11,16H,12-14H2
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 31n/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