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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Lysosomal acid glucosylceramidase' and Ligand = 'BDBM18351'   
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
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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PubMed
4.70E+4n/an/an/an/an/an/an/an/a



Technische Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-glucosidase of sweet almond


Bioorg Med Chem Lett 9: 615-8 (1999)


BindingDB Entry DOI: 10.7270/Q2V40VQH
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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Article
PubMed
7.90E+4 -24.4 2.40E+5n/an/an/an/a5.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Bioorg Med Chem 14: 7736-44 (2006)


Article DOI: 10.1016/j.bmc.2006.08.003
BindingDB Entry DOI: 10.7270/Q2BZ649B
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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7.90E+4n/an/an/an/an/an/an/an/a



Technical University Graz

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-glucocerebrosidase


Bioorg Med Chem Lett 24: 2777-80 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.069
BindingDB Entry DOI: 10.7270/Q2RV0Q8B
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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Article
3.00E+5n/an/an/an/an/an/a5.0n/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on almonds beta Glucosidase at pH 5.0


Bioorg Med Chem Lett 2: 27-32 (1992)


Article DOI: 10.1016/S0960-894X(00)80648-4
BindingDB Entry DOI: 10.7270/Q2TH8MKB
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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3.00E+5n/an/an/an/an/an/a5.0n/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 7.0


Bioorg Med Chem Lett 2: 27-32 (1992)


Article DOI: 10.1016/S0960-894X(00)80648-4
BindingDB Entry DOI: 10.7270/Q2TH8MKB
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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Article
n/an/a 1.18E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Escherichia coli Alpha-galactosidase


Bioorg Med Chem Lett 4: 2643-2648 (1994)


Article DOI: 10.1016/S0960-894X(01)80688-0
BindingDB Entry DOI: 10.7270/Q21V5FFN
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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Article
PubMed
n/an/a 1.95E+5n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucocerebrosidase


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Bos taurus)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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n/an/a 2.10E+5n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucosidase


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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Article
PubMed
n/an/a 2.40E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-glucosidase


Bioorg Med Chem 16: 7330-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.026
BindingDB Entry DOI: 10.7270/Q27D2W2B
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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n/an/a 2.40E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114499
BindingDB Entry DOI: 10.7270/Q2Z89HFH
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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Article
n/an/a>3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Escherichia coli beta galactosidase


Bioorg Med Chem Lett 4: 2643-2648 (1994)


Article DOI: 10.1016/S0960-894X(01)80688-0
BindingDB Entry DOI: 10.7270/Q21V5FFN
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of Beta-glucosidase activity.


Bioorg Med Chem Lett 10: 1081-4 (2000)


BindingDB Entry DOI: 10.7270/Q25D8SCS
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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Article
PubMed
n/an/a 5.06E+5n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferyl from human GBA by fluorometry


Bioorg Med Chem 18: 267-73 (2010)


Article DOI: 10.1016/j.bmc.2009.10.060
BindingDB Entry DOI: 10.7270/Q2ZC82ZH
More data for this
Ligand-Target Pair