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PubMed code 17317569

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM68271
PNG
(M-31850)
Show SMILES CCCNCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C17H18N2O2/c1-2-9-18-10-11-19-16(20)13-7-3-5-12-6-4-8-14(15(12)13)17(19)21/h3-8,18H,2,9-11H2,1H3
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Article
PubMed
n/an/a 600n/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)


Article DOI: 10.1016/j.chembiol.2006.12.006
BindingDB Entry DOI: 10.7270/Q25B00W8
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha


(Homo sapiens (Human))
BDBM68272
PNG
(LU79953)
Show SMILES CCCNCCCNCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C20H25N3O2/c1-2-10-21-11-5-12-22-13-14-23-19(24)16-8-3-6-15-7-4-9-17(18(15)16)20(23)25/h3-4,6-9,21-22H,2,5,10-14H2,1H3
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PubMed
n/an/a 4.60E+3n/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)


Article DOI: 10.1016/j.chembiol.2006.12.006
BindingDB Entry DOI: 10.7270/Q25B00W8
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha


(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
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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)


Article DOI: 10.1016/j.chembiol.2006.12.006
BindingDB Entry DOI: 10.7270/Q25B00W8
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha


(Homo sapiens (Human))
BDBM50106194
PNG
(1,3-dioxo-1H-benz[de]isoquinoline | 1,8-Naphthalim...)
Show SMILES O=C1NC(=O)c2cccc3cccc1c23
Show InChI InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)
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Article
PubMed
n/an/a 1.80E+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)


Article DOI: 10.1016/j.chembiol.2006.12.006
BindingDB Entry DOI: 10.7270/Q25B00W8
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha


(Homo sapiens (Human))
BDBM68269
PNG
(M-31867)
Show SMILES CC(O)CCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C16H15NO3/c1-10(18)8-9-17-15(19)12-6-2-4-11-5-3-7-13(14(11)12)16(17)20/h2-7,10,18H,8-9H2,1H3
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Article
PubMed
n/an/a 3.10E+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)


Article DOI: 10.1016/j.chembiol.2006.12.006
BindingDB Entry DOI: 10.7270/Q25B00W8
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha


(Homo sapiens (Human))
BDBM68268
PNG
(M-31862)
Show SMILES O=C1N(CCCc2ccccn2)C(=O)c2cccc3cccc1c23
Show InChI InChI=1S/C20H16N2O2/c23-19-16-10-3-6-14-7-4-11-17(18(14)16)20(24)22(19)13-5-9-15-8-1-2-12-21-15/h1-4,6-8,10-12H,5,9,13H2
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n/an/a 1.08E+5n/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)


Article DOI: 10.1016/j.chembiol.2006.12.006
BindingDB Entry DOI: 10.7270/Q25B00W8
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha


(Homo sapiens (Human))
BDBM68267
PNG
(M-31860)
Show SMILES O=C1N(CC2CCCO2)C(=O)c2cccc3cccc1c23
Show InChI InChI=1S/C17H15NO3/c19-16-13-7-1-4-11-5-2-8-14(15(11)13)17(20)18(16)10-12-6-3-9-21-12/h1-2,4-5,7-8,12H,3,6,9-10H2
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PubMed
n/an/a 1.38E+5n/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)


Article DOI: 10.1016/j.chembiol.2006.12.006
BindingDB Entry DOI: 10.7270/Q25B00W8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%