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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-hexosaminidase subunit alpha (HexA)' and Ligand = 'BDBM68270'   
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
Beta-hexosaminidase subunit alpha (HexA)


(Homo sapiens (Human))
BDBM68270
PNG
(5141402)
Show SMILES OCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C15H13NO3/c17-9-3-8-16-14(18)11-6-1-4-10-5-2-7-12(13(10)11)15(16)19/h1-2,4-7,17H,3,8-9H2
PDB
MMDB

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Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/a25



Research Institute, Hospital for Sick Children



Assay Description
Enzyme assay based on 4-MU substrates with HTS to identify inhibitory compounds for Hex.


Chem Biol 14: 153-64 (2007)

More data for this
Ligand-Target Pair