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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with Target = 'Beta-glucosidase A' AND taxid = 44001   
Target
(Institution)
LigandTarget
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-glucosidase A


(Caldocellum saccharolyticum)
BDBM50073992
PNG
(((3aS,4aS,7aS,7bR)-6,6-Dimethyl-3a,4a,7a,7b-tetrah...)
Show SMILES CC1(C)O[C@@H]2O[C@@H]3[C@@H](ON=C3CO)[C@@H]2O1
Show InChI InChI=1S/C9H13NO5/c1-9(2)13-7-6-5(12-8(7)14-9)4(3-11)10-15-6/h5-8,11H,3H2,1-2H3/t5-,6+,7-,8-/m0/s1
KEGG

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5.00E+3n/an/an/an/an/an/an/an/a



Institut de chimie organique de l'Université de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of beta-glucosidase from Caldocellum saccharolyticum


Bioorg Med Chem Lett 9: 277-8 (1999)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50402977
PNG
(CHEMBL2207397)
Show SMILES OCC(O)[C@H]1NC[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-4(10)5-6(11)3(9)1-7-5/h3-11H,1-2H2/t3-,4?,5+,6-/m0/s1
KEGG

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1.90E+4n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol


Bioorg Med Chem Lett 11: 2489-93 (2001)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50403869
PNG
(CHEMBL2115197)
Show SMILES CC[C@H]1NC[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO2/c1-2-4-6(9)5(8)3-7-4/h4-9H,2-3H2,1H3/t4-,5+,6-/m1/s1
KEGG

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1.90E+4n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol


Bioorg Med Chem Lett 11: 2489-93 (2001)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50104296
PNG
(2-(2,2-Dihydroxy-ethyl)-pyrrolidine-3,4-diol | CHE...)
Show SMILES OC(O)CC1NCC(O)C1O
Show InChI InChI=1S/C6H13NO4/c8-4-2-7-3(6(4)11)1-5(9)10/h3-11H,1-2H2
KEGG

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2.70E+4n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol


Bioorg Med Chem Lett 11: 2489-93 (2001)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50104303
PNG
(2-{[(Furan-2-ylmethyl)-amino]-methyl}-pyrrolidine-...)
Show SMILES OC1CNC(CNCc2ccco2)C1O
Show InChI InChI=1S/C10H16N2O3/c13-9-6-12-8(10(9)14)5-11-4-7-2-1-3-15-7/h1-3,8-14H,4-6H2
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6.00E+4n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol


Bioorg Med Chem Lett 11: 2489-93 (2001)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50104302
PNG
(2-{[(1-Benzyl-piperidin-4-ylmethyl)-amino]-methyl}...)
Show SMILES OC1CNC(CNCC2CCN(Cc3ccccc3)CC2)C1O
Show InChI InChI=1S/C18H29N3O2/c22-17-12-20-16(18(17)23)11-19-10-14-6-8-21(9-7-14)13-15-4-2-1-3-5-15/h1-5,14,16-20,22-23H,6-13H2
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1.20E+5n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol


Bioorg Med Chem Lett 11: 2489-93 (2001)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50104305
PNG
(2-{[(Imidazol-1-ylmethyl)-amino]-methyl}-pyrrolidi...)
Show SMILES OC1CNC(CNCn2ccnc2)C1O
Show InChI InChI=1S/C9H16N4O2/c14-8-4-12-7(9(8)15)3-11-6-13-2-1-10-5-13/h1-2,5,7-9,11-12,14-15H,3-4,6H2
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1.20E+5n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol


Bioorg Med Chem Lett 11: 2489-93 (2001)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50104304
PNG
(2-[((S)-1-Hydroxy-ethylamino)-methyl]-pyrrolidine-...)
Show SMILES C[C@H](O)NCC1NCC(O)C1O
Show InChI InChI=1S/C7H16N2O3/c1-4(10)8-2-5-7(12)6(11)3-9-5/h4-12H,2-3H2,1H3/t4-,5?,6?,7?/m0/s1
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1.70E+5n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol


Bioorg Med Chem Lett 11: 2489-93 (2001)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50279406
PNG
(2,5-Dideoxy-2,5-imino-glycero-D-manno-heptitol | C...)
Show SMILES OC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C7H15NO5/c9-1-3-6(12)7(13)5(8-3)4(11)2-10/h3-13H,1-2H2/t3-,4+,5-,6-,7-/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of Caldocellum saccharolyticum beta-glucosidase assessed as D-glucose release after 30 mins by Glucose B-test


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50279407
PNG
(2,5-Imino-2,5,7-trideoxy-D-glycero-D-manno-heptito...)
Show SMILES C[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C7H15NO4/c1-3(10)5-7(12)6(11)4(2-9)8-5/h3-12H,2H2,1H3/t3-,4+,5+,6+,7+/m0/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of Caldocellum saccharolyticum beta-glucosidase assessed as D-glucose release after 30 mins by Glucose B-test


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50241865
PNG
(2,5-dideoxy-2,5-imino-D-altritol | 2R,5R-dihydroxy...)
Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
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 1.90E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of Caldocellum saccharolyticum beta-glucosidase assessed as p-nitrophenol release at pH 5 by spectrometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50037814
PNG
(2,5-Bis-hydroxymethyl-pyrrolidine-3,4-diol | CHEMB...)
Show SMILES OCC1NC(CO)C(O)C1O
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2
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n/an/a 3.40E+4n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian cellobiase beta-glucosidase was determined in rat intestine


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50166776
PNG
(6-[(Biphenyl-4-ylmethyl)-amino]-cyclohex-4-ene-1,2...)
Show SMILES OC1C=CC(NCc2ccc(cc2)-c2ccccc2)C(O)C1O
Show InChI InChI=1S/C19H21NO3/c21-17-11-10-16(18(22)19(17)23)20-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,16-23H,12H2
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n/an/a 3.50E+4n/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne (EPFL)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta Glucosidase Caldocellum saccharolyticum


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50166777
PNG
(6-(4-Phenoxy-benzylamino)-cyclohex-4-ene-1,2,3-tri...)
Show SMILES OC1C=CC(NCc2ccc(Oc3ccccc3)cc2)C(O)C1O
Show InChI InChI=1S/C19H21NO4/c21-17-11-10-16(18(22)19(17)23)20-12-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-11,16-23H,12H2
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n/an/a 5.20E+4n/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne (EPFL)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta Glucosidase from Caldocellum saccharolyticum


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
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 5.50E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Glucosidase from Caldocellum saccharolyticum


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50156357
PNG
(2-Hydroxymethyl-1-nonyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3
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n/an/a 8.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Glucosidase from Caldocellum saccharolyticum


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50104296
PNG
(2-(2,2-Dihydroxy-ethyl)-pyrrolidine-3,4-diol | CHE...)
Show SMILES OC(O)CC1NCC(O)C1O
Show InChI InChI=1S/C6H13NO4/c8-4-2-7-3(6(4)11)1-5(9)10/h3-11H,1-2H2
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n/an/a 8.00E+4n/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol.


Bioorg Med Chem Lett 11: 2489-93 (2001)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50156360
PNG
(2-Hydroxymethyl-6-nonyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCCCCC1NC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-11-13(18)15(20)14(19)12(10-17)16-11/h11-20H,2-10H2,1H3
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n/an/a 8.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Glucosidase from Caldocellum saccharolyticum


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50402977
PNG
(CHEMBL2207397)
Show SMILES OCC(O)[C@H]1NC[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-4(10)5-6(11)3(9)1-7-5/h3-11H,1-2H2/t3-,4?,5+,6-/m0/s1
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n/an/a 8.50E+4n/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol.


Bioorg Med Chem Lett 11: 2489-93 (2001)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50403869
PNG
(CHEMBL2115197)
Show SMILES CC[C@H]1NC[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO2/c1-2-4-6(9)5(8)3-7-4/h4-9H,2-3H2,1H3/t4-,5+,6-/m1/s1
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n/an/a 8.50E+4n/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol.


Bioorg Med Chem Lett 11: 2489-93 (2001)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50156361
PNG
(2-Hydroxymethyl-1-propyl-piperidine-3,4,5-triol | ...)
Show SMILES CCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C9H19NO4/c1-2-3-10-4-7(12)9(14)8(13)6(10)5-11/h6-9,11-14H,2-5H2,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Glucosidase from Caldocellum saccharolyticum


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
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 1.00E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of Caldocellum saccharolyticum beta-glucosidase assessed as D-glucose release after 30 mins by Glucose B-test


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50292389
PNG
(3-epi-fagomine | 3-epifagomine | CHEMBL456583)
Show SMILES OC[C@H]1NCC[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5+,6-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian cellobiase beta-glucosidase was determined in rat intestine


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50156356
PNG
(2-Hydroxymethyl-6-octyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCCCC1NC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-10-12(17)14(19)13(18)11(9-16)15-10/h10-19H,2-9H2,1H3
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n/an/a 1.10E+5n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Glucosidase from Caldocellum saccharolyticum


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50320826
PNG
(CHEMBL1163255 | beta-1-C-Butyl-1-deoxygalactonojir...)
Show SMILES CCCC[C@@H]1N[C@H](CO)[C@H](O)[C@H](O)[C@H]1C
Show InChI InChI=1S/C11H23NO3/c1-3-4-5-8-7(2)10(14)11(15)9(6-13)12-8/h7-15H,3-6H2,1-2H3/t7-,8-,9+,10+,11-/m0/s1
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n/an/a 1.52E+5n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of Caldocellum saccharolyticum beta-glucosidase assessed as p-nitrophenol release at pH 5 by spectrometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50156359
PNG
(2-Hydroxymethyl-1-octyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16/h11-14,16-19H,2-10H2,1H3
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n/an/a 1.60E+5n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Glucosidase from Caldocellum saccharolyticum


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50104304
PNG
(2-[((S)-1-Hydroxy-ethylamino)-methyl]-pyrrolidine-...)
Show SMILES C[C@H](O)NCC1NCC(O)C1O
Show InChI InChI=1S/C7H16N2O3/c1-4(10)8-2-5-7(12)6(11)3-9-5/h4-12H,2-3H2,1H3/t4-,5?,6?,7?/m0/s1
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n/an/a 1.80E+5n/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol.


Bioorg Med Chem Lett 11: 2489-93 (2001)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50166774
PNG
(6-(4-Chloro-benzylamino)-cyclohex-4-ene-1,2,3-trio...)
Show SMILES OC1C=CC(NCc2ccc(Cl)cc2)C(O)C1O
Show InChI InChI=1S/C13H16ClNO3/c14-9-3-1-8(2-4-9)7-15-10-5-6-11(16)13(18)12(10)17/h1-6,10-13,15-18H,7H2
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n/an/a 1.85E+5n/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne (EPFL)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta Glucosidase from Caldocellum saccharolyticum


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50403869
PNG
(CHEMBL2115197)
Show SMILES CC[C@H]1NC[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO2/c1-2-4-6(9)5(8)3-7-4/h4-9H,2-3H2,1H3/t4-,5+,6-/m1/s1
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n/an/a 2.30E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian cellobiase beta-glucosidase was determined in rat intestine


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50104303
PNG
(2-{[(Furan-2-ylmethyl)-amino]-methyl}-pyrrolidine-...)
Show SMILES OC1CNC(CNCc2ccco2)C1O
Show InChI InChI=1S/C10H16N2O3/c13-9-6-12-8(10(9)14)5-11-4-7-2-1-3-15-7/h1-3,8-14H,4-6H2
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n/an/a 2.50E+5n/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol.


Bioorg Med Chem Lett 11: 2489-93 (2001)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50104305
PNG
(2-{[(Imidazol-1-ylmethyl)-amino]-methyl}-pyrrolidi...)
Show SMILES OC1CNC(CNCn2ccnc2)C1O
Show InChI InChI=1S/C9H16N4O2/c14-8-4-12-7(9(8)15)3-11-6-13-2-1-10-5-13/h1-2,5,7-9,11-12,14-15H,3-4,6H2
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n/an/a 2.90E+5n/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol.


Bioorg Med Chem Lett 11: 2489-93 (2001)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50104302
PNG
(2-{[(1-Benzyl-piperidin-4-ylmethyl)-amino]-methyl}...)
Show SMILES OC1CNC(CNCC2CCN(Cc3ccccc3)CC2)C1O
Show InChI InChI=1S/C18H29N3O2/c22-17-12-20-16(18(17)23)11-19-10-14-6-8-21(9-7-14)13-15-4-2-1-3-5-15/h1-5,14,16-20,22-23H,6-13H2
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n/an/a 2.90E+5n/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol.


Bioorg Med Chem Lett 11: 2489-93 (2001)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50104295
PNG
(2-[(2-Hydroxy-1-methyl-2,2-diphenyl-ethylamino)-me...)
Show SMILES CC(NCC1NCC(O)C1O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H26N2O3/c1-14(21-12-17-19(24)18(23)13-22-17)20(25,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17-19,21-25H,12-13H2,1H3
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n/an/a 3.20E+5n/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol.


Bioorg Med Chem Lett 11: 2489-93 (2001)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50104301
PNG
(2-[((R)-1-Hydroxy-ethylamino)-methyl]-pyrrolidine-...)
Show SMILES C[C@@H](O)NCC1NCC(O)C1O
Show InChI InChI=1S/C7H16N2O3/c1-4(10)8-2-5-7(12)6(11)3-9-5/h4-12H,2-3H2,1H3/t4-,5?,6?,7?/m1/s1
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n/an/a 3.40E+5n/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol.


Bioorg Med Chem Lett 11: 2489-93 (2001)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50234571
PNG
(2,5-imino-2,5,6-trideoxy-D-manno-heptitol | CHEMBL...)
Show SMILES OCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C7H15NO4/c9-2-1-4-6(11)7(12)5(3-10)8-4/h4-12H,1-3H2/t4-,5-,6-,7-/m1/s1
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n/an/a 3.50E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of Caldocellum saccharolyticum beta-glucosidase assessed as D-glucose release after 30 mins by Glucose B-test


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50163440
PNG
((2R,3S,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 3.67E+5n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of Caldocellum saccharolyticum beta-glucosidase assessed as p-nitrophenol release at pH 5 by spectrometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50156354
PNG
(1-Hexyl-2-hydroxymethyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C12H25NO4/c1-2-3-4-5-6-13-7-10(15)12(17)11(16)9(13)8-14/h9-12,14-17H,2-8H2,1H3
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n/an/a 4.50E+5n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Glucosidase from Caldocellum saccharolyticum


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
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 4.60E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian cellobiase beta-glucosidase was determined in rat intestine


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
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 4.60E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian cellobiase beta-glucosidase was determined in rat intestine


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50073992
PNG
(((3aS,4aS,7aS,7bR)-6,6-Dimethyl-3a,4a,7a,7b-tetrah...)
Show SMILES CC1(C)O[C@@H]2O[C@@H]3[C@@H](ON=C3CO)[C@@H]2O1
Show InChI InChI=1S/C9H13NO5/c1-9(2)13-7-6-5(12-8(7)14-9)4(3-11)10-15-6/h5-8,11H,3H2,1-2H3/t5-,6+,7-,8-/m0/s1
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n/an/a 5.50E+5n/an/an/an/an/an/a



Institut de chimie organique de l'Université de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of beta-glucosidase from Caldocellum saccharolyticum


Bioorg Med Chem Lett 9: 277-8 (1999)

More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50320827
PNG
(CHEMBL1163562 | beta-1-C-butenyl-1-deoxygalactonoj...)
Show SMILES C[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)N[C@H]1CCC=C
Show InChI InChI=1S/C11H21NO3/c1-3-4-5-8-7(2)10(14)11(15)9(6-13)12-8/h3,7-15H,1,4-6H2,2H3/t7-,8-,9+,10+,11-/m0/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of Caldocellum saccharolyticum beta-glucosidase assessed as p-nitrophenol release at pH 5 by spectrometric analysis


Citation and Details
More data for this
Ligand-Target Pair