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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 207.2
BDBM50046330

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))
BDBM50046330
PNG
(3-Amino-2-oxo-4-phenyl-butyric acid methyl ester |...)
Show SMILES COC(=O)C(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C11H13NO3/c1-15-11(14)10(13)9(12)7-8-5-3-2-4-6-8/h2-6,9H,7,12H2,1H3/t9-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of LTA4 hydrolase purified from human leukocytes


J Med Chem 36: 211-20 (1993)


BindingDB Entry DOI: 10.7270/Q2T152P3
More data for this
Ligand-Target Pair