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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Cytosolic beta-glucosidase' AND taxid = 9606   
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
Cytosolic beta-glucosidase


(Homo sapiens (Human))		BDBM50383315
PNG
(CHEMBL2029773)
Show SMILES CCCCCCCCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H31NO3S/c1-2-3-4-5-6-7-9-20-10-8-12-14(18)15(19)13(17)11-16-12/h12-19H,2-11H2,1H3/t12-,13-,14+,15+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic beta-glucosidase using 4-methylumbelliferyl beta-D-glucopyranoside as substrate after 15 mins by fluorimetric analysis

J Med Chem 55: 2737-45 (2012)


Article DOI: 10.1021/jm201633y
BindingDB Entry DOI: 10.7270/Q2639QSX
More data for this
Ligand-Target Pair
Cytosolic beta-glucosidase


(Homo sapiens (Human))		BDBM50163441
PNG
((2R,3S,4S,5R)-2-Hydroxymethyl-piperidine-3,4,5-tri...)
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 6.00E+4n/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-glucosidase

J Med Chem 48: 2036-44 (2005)


Article DOI: 10.1021/jm0495881
BindingDB Entry DOI: 10.7270/Q2DF6S0M
More data for this
Ligand-Target Pair
Cytosolic beta-glucosidase


(Homo sapiens (Human))		BDBM50163441
PNG
((2R,3S,4S,5R)-2-Hydroxymethyl-piperidine-3,4,5-tri...)
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 6.60E+4n/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human beta-glucosidase

J Med Chem 48: 2036-44 (2005)


Article DOI: 10.1021/jm0495881
BindingDB Entry DOI: 10.7270/Q2DF6S0M
More data for this
Ligand-Target Pair
Cytosolic beta-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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n/an/a 8.00E+4n/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-glucosidase

J Med Chem 48: 2036-44 (2005)


Article DOI: 10.1021/jm0495881
BindingDB Entry DOI: 10.7270/Q2DF6S0M
More data for this
Ligand-Target Pair
Cytosolic beta-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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n/an/a 2.40E+5n/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human beta-glucosidase

J Med Chem 48: 2036-44 (2005)


Article DOI: 10.1021/jm0495881
BindingDB Entry DOI: 10.7270/Q2DF6S0M
More data for this
Ligand-Target Pair
Cytosolic beta-glucosidase


(Homo sapiens (Human))		BDBM50234564
PNG
(CHEMBL259905)
Show SMILES OC[C@H]1N[C@@H](CO)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of beta-glucosidase

J Nat Prod 68: 1238-42 (2005)


Article DOI: 10.1021/np050157a
BindingDB Entry DOI: 10.7270/Q2X34ZBM
More data for this
Ligand-Target Pair
Cytosolic beta-glucosidase


(Homo sapiens (Human))		BDBM50163447
PNG
((2S,3S,4S,5R)-2-Hydroxymethyl-piperidine-3,4,5-tri...)
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-/m0/s1
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n/an/a 9.80E+5n/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-glucosidase

J Med Chem 48: 2036-44 (2005)


Article DOI: 10.1021/jm0495881
BindingDB Entry DOI: 10.7270/Q2DF6S0M
More data for this
Ligand-Target Pair
Cytosolic beta-glucosidase


(Homo sapiens (Human))		BDBM50153474
PNG
(4-Methylene-6-octylamino-cyclohexane-1,2,3-triol |...)
Show SMILES CCCCCCCCNC1CC(=C)C(O)C(O)C1O
Show InChI InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-16-12-10-11(2)13(17)15(19)14(12)18/h12-19H,2-10H2,1H3
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n/an/a<1.00E+6n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of Beta-glucosidase of rat intestine; no inhibition

Bioorg Med Chem Lett 14: 5183-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.091
BindingDB Entry DOI: 10.7270/Q2FB53P6
More data for this
Ligand-Target Pair
Cytosolic beta-glucosidase


(Homo sapiens (Human))		BDBM50118923
PNG
((1S,2S,3R)-4-Methyl-6-octylamino-cyclohexane-1,2,3...)
Show SMILES CCCCCCCCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1S/C15H31NO3/c1-3-4-5-6-7-8-9-16-12-10-11(2)13(17)15(19)14(12)18/h11-19H,3-10H2,1-2H3
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n/an/a<1.00E+6n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of Beta-glucosidase of rat intestine; no inhibition

Bioorg Med Chem Lett 14: 5183-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.091
BindingDB Entry DOI: 10.7270/Q2FB53P6
More data for this
Ligand-Target Pair
Cytosolic beta-glucosidase


(Homo sapiens (Human))		BDBM50153475
PNG
(4-Hydroxymethyl-6-octylamino-cyclohexane-1,2,3-tri...)
Show SMILES CCCCCCCCNC1CC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h11-20H,2-10H2,1H3
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n/an/a<1.00E+6n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of Beta-glucosidase of rat intestine; no inhibition

Bioorg Med Chem Lett 14: 5183-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.091
BindingDB Entry DOI: 10.7270/Q2FB53P6
More data for this
Ligand-Target Pair
Cytosolic beta-glucosidase


(Homo sapiens (Human))		BDBM50153476
PNG
(4-((3R,8S)-4-Hydroxy-3-methoxy-6-oxa-bicyclo[3.2.1...)
Show SMILES CO[C@@H]1CC2COC([C@H]2NC2CC(CO)C(O)C(O)C2O)C1O |TLB:1:2:8:6.5,9:8:21.2.3:6.5,THB:22:21:8:6.5|
Show InChI InChI=1S/C15H27NO7/c1-22-9-3-7-5-23-15(13(9)20)10(7)16-8-2-6(4-17)11(18)14(21)12(8)19/h6-21H,2-5H2,1H3/t6?,7?,8?,9-,10+,11?,12?,13?,14?,15?/m1/s1
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n/an/a<1.00E+6n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of Beta-glucosidase of rat intestine; no inhibition

Bioorg Med Chem Lett 14: 5183-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.091
BindingDB Entry DOI: 10.7270/Q2FB53P6
More data for this
Ligand-Target Pair
Cytosolic beta-glucosidase


(Homo sapiens (Human))		BDBM50153478
PNG
(CHEMBL185536 | N-(2,3,4-Trihydroxy-5-hydroxymethyl...)
Show SMILES CC(=O)NC1CC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C9H17NO5/c1-4(12)10-6-2-5(3-11)7(13)9(15)8(6)14/h5-9,11,13-15H,2-3H2,1H3,(H,10,12)
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n/an/a 1.40E+10n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of Beta-glucosidase of rat intestine

Bioorg Med Chem Lett 14: 5183-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.091
BindingDB Entry DOI: 10.7270/Q2FB53P6
More data for this
Ligand-Target Pair
Cytosolic beta-glucosidase


(Homo sapiens (Human))		BDBM50367332
PNG
(CHEMBL1628264)
Show SMILES N[C@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C7H15NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h3-7,9-12H,1-2,8H2/t3-,4+,5-,6+,7+/m1/s1
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n/an/a 1.30E+11n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of Beta-glucosidase of rat intestine

Bioorg Med Chem Lett 14: 5183-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.091
BindingDB Entry DOI: 10.7270/Q2FB53P6
More data for this
Ligand-Target Pair