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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50035036   
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))
BDBM50350757
PNG
(CHEMBL1818432)
Show SMILES OC[C@@H]1CNC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5+,6+/m0/s1
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110n/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))
BDBM50075410
PNG
(5-Hydroxymethyl-2-methyl-piperidine-3,4-diol | CHE...)
Show SMILES C[C@@H]1NC[C@@H](CO)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C7H15NO3/c1-4-6(10)7(11)5(3-9)2-8-4/h4-11H,2-3H2,1H3
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2.10E+3n/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 alpha-glucosidase


(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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2.50E+4n/an/an/an/an/an/an/an/a



Technische Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-glucosidase of yeast


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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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))
BDBM50075409
PNG
(2,5-Bis-hydroxymethyl-piperidine-3,4-diol | CHEMBL...)
Show SMILES OC[C@@H]1CN[C@@H](CO)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C7H15NO4/c9-2-4-1-8-5(3-10)7(12)6(4)11/h4-12H,1-3H2
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6.60E+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 alpha-glucosidase


(Homo sapiens (Human))
BDBM50350757
PNG
(CHEMBL1818432)
Show SMILES OC[C@@H]1CNC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5+,6+/m0/s1
PDB

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PubMed
8.60E+4n/an/an/an/an/an/an/an/a



Technische Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-glucosidase of yeast


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


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