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Compile Data Set for Download or QSAR

Found 314 hits Enz. Inhib. hit(s) with Target = 'Beta-glucosidase'   
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-glucosidase


(Agrobacterium tumefaciens)
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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7n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta-glucosidase


Bioorg Med Chem Lett 16: 2067-70 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50279839
PNG
(CHEMBL157924 | [4-(2-Amino-ethyl)-imidazol-1-yl]-p...)
Show SMILES NCCc1cn(cn1)C(=O)c1ccccc1
Show InChI InChI=1S/C12H13N3O/c13-7-6-11-8-15(9-14-11)12(16)10-4-2-1-3-5-10/h1-5,8-9H,6-7,13H2
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110n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against sweet almond Beta-glucosidase


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


(Agrobacterium tumefaciens)
BDBM50182793
PNG
(CHEMBL208677 | N-(2-(1-(dimethylamino)naphthalene-...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCNC(=O)CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C26H40N4O7S/c1-29(2)20-10-6-9-19-18(20)8-7-11-23(19)38(36,37)28-14-13-27-24(33)12-4-3-5-15-30-16-22(32)26(35)25(34)21(30)17-31/h6-11,21-22,25-26,28,31-32,34-35H,3-5,12-17H2,1-2H3,(H,27,33)/t21-,22+,25-,26-/m1/s1
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140n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta-glucosidase


Bioorg Med Chem Lett 16: 2067-70 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Agrobacterium tumefaciens)
BDBM50182796
PNG
(5-(dimethylamino)-N-(6-((2R,3R,4R,5S)-3,4,5-trihyd...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C24H37N3O6S/c1-26(2)19-11-7-10-18-17(19)9-8-12-22(18)34(32,33)25-13-5-3-4-6-14-27-15-21(29)24(31)23(30)20(27)16-28/h7-12,20-21,23-25,28-31H,3-6,13-16H2,1-2H3/t20-,21+,23-,24-/m1/s1
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320n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta-glucosidase


Bioorg Med Chem Lett 16: 2067-70 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Agrobacterium sp. ATCC 21400)
BDBM50371431
PNG
(CHEMBL402127)
Show SMILES COC(=O)CCCCCNC(=O)CCCCCN1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CNS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C31H48N4O8S/c1-34(2)24-14-10-13-23-22(24)12-11-15-27(23)44(41,42)33-20-25-30(39)31(40)26(21-36)35(25)19-9-5-6-16-28(37)32-18-8-4-7-17-29(38)43-3/h10-15,25-26,30-31,33,36,39-40H,4-9,16-21H2,1-3H3,(H,32,37)/t25-,26-,30-,31-/m1/s1
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900n/an/an/an/an/an/an/an/a



Technische Universit£t Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta-glucosidase


Bioorg Med Chem Lett 18: 1922-5 (2008)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Agrobacterium tumefaciens)
BDBM50182794
PNG
(4-(5-(4-(dimethylamino)phenyl)oxazol-2-yl)-N-(6-((...)
Show SMILES CN(C)c1ccc(cc1)-c1cnc(o1)-c1ccc(cc1)S(=O)(=O)NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C29H40N4O7S/c1-32(2)22-11-7-20(8-12-22)26-17-30-29(40-26)21-9-13-23(14-10-21)41(38,39)31-15-5-3-4-6-16-33-18-25(35)28(37)27(36)24(33)19-34/h7-14,17,24-25,27-28,31,34-37H,3-6,15-16,18-19H2,1-2H3/t24-,25+,27-,28-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta-glucosidase


Bioorg Med Chem Lett 16: 2067-70 (2006)

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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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


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


(Agrobacterium sp. ATCC 21400)
BDBM50371433
PNG
(CHEMBL402128)
Show SMILES COC(=O)CCCCCNC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C31H48N4O9S/c1-34(2)24-14-9-12-22-21(24)11-10-15-27(22)45(42,43)33-23(31(41)32-17-7-4-5-16-28(38)44-3)13-6-8-18-35-19-26(37)30(40)29(39)25(35)20-36/h9-12,14-15,23,25-26,29-30,33,36-37,39-40H,4-8,13,16-20H2,1-3H3,(H,32,41)/t23-,25+,26-,29+,30+/m0/s1
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6.20E+3n/an/an/an/an/an/an/an/a



Technische Universit£t Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta-glucosidase


Bioorg Med Chem Lett 18: 1922-5 (2008)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Agrobacterium tumefaciens)
BDBM50182799
PNG
(CHEMBL205592 | N-(6-((3R,4R,5R)-3,4-dihydroxy-5-(h...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1
Show InChI InChI=1S/C24H37N3O5S/c1-26(2)21-11-7-10-20-19(21)9-8-12-23(20)33(31,32)25-13-5-3-4-6-14-27-15-18(17-28)24(30)22(29)16-27/h7-12,18,22,24-25,28-30H,3-6,13-17H2,1-2H3/t18-,22-,24-/m1/s1
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9.00E+3n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta-glucosidase


Bioorg Med Chem Lett 16: 2067-70 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
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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9.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against sweet almond Beta-glucosidase


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


(Agrobacterium tumefaciens)
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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1.20E+4n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta-glucosidase


Bioorg Med Chem Lett 16: 2067-70 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Agrobacterium tumefaciens)
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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1.20E+4n/an/an/an/an/an/an/an/a



Technical University Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta glucosidase


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

More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
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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1.20E+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 Almond


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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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


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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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


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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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


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


(Prunus avium)
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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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 Almond


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


(Agrobacterium tumefaciens)
BDBM50018018
PNG
(CHEMBL3289679)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H25N3O5S/c1-21(2)14-7-3-6-12-11(14)5-4-8-16(12)27(25,26)20-9-13-17(23)18(24)15(22)10-19-13/h3-8,13,15,17-20,22-24H,9-10H2,1-2H3/t13-,15-,17+,18+/m1/s1
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3.60E+4n/an/an/an/an/an/an/an/a



Technical University Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta glucosidase using 2,4-dinitrophenyl-beta-D-glucopyranoside as substrate measured for 3 mins


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

More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50186735
PNG
(CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1
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4.50E+4n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Agrobacterium tumefaciens)
BDBM50182798
PNG
((3R,4r,5S)-piperidine-3,4,5-triol | 1,5-Dideoxy-1,...)
Show SMILES O[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5+
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5.00E+4n/an/an/an/an/an/an/an/a



Technical University Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta glucosidase


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

More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
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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5.30E+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 Almond


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


(Prunus avium)
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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5.30E+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 Almond


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


(Prunus avium)
BDBM50185227
PNG
((2R,3S,4S,6R)-2-(hydroxymethyl)-6-undecylpiperidin...)
Show SMILES CCCCCCCCCCC[C@@H]1C[C@H](O)[C@@H](O)[C@@H](CO)N1
Show InChI InChI=1S/C17H35NO3/c1-2-3-4-5-6-7-8-9-10-11-14-12-16(20)17(21)15(13-19)18-14/h14-21H,2-13H2,1H3/t14-,15-,16+,17+/m1/s1
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5.80E+4n/an/an/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of almond beta glucosidase


Bioorg Med Chem Lett 16: 3262-7 (2006)

More data for this
Ligand-Target Pair
beta-glucosidase


(Prunus dulcis)
BDBM85295
PNG
(Glucosidase inhibitor, 6b)
Show SMILES COc1cc(ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(F)F
Show InChI InChI=1S/C14H18F2O7/c1-21-8-4-6(13(15)16)2-3-7(8)22-14-12(20)11(19)10(18)9(5-17)23-14/h2-4,9-14,17-20H,5H2,1H3/t9-,10-,11+,12-,14-/m1/s1
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6.00E+4 -25.1n/an/an/an/an/a5.637



Merrell Dow Research Institute



Assay Description
The enzyme activity was measured by monitoring the increase in absorbance at 400 nm due to hydrolysis of para-nitrophenyl-beta-glucopyranoside. All ...


Citation and Details
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


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


(Prunus avium)
BDBM50185229
PNG
((2R,3S,4R,6R)-6-heptyl-2-(hydroxymethyl)piperidine...)
Show SMILES CCCCCCC[C@@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)N1
Show InChI InChI=1S/C13H27NO3/c1-2-3-4-5-6-7-10-8-12(16)13(17)11(9-15)14-10/h10-17H,2-9H2,1H3/t10-,11-,12-,13+/m1/s1
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6.10E+4n/an/an/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of almond beta glucosidase


Bioorg Med Chem Lett 16: 3262-7 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50186735
PNG
(CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1
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9.20E+4n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond beta glucosidase at pH 5


J Med Chem 49: 2989-97 (2006)

More data for this
Ligand-Target Pair
beta-glucosidase


(Prunus dulcis)
BDBM85296
PNG
(Glucosidase inhibitor, 6c)
Show SMILES CCOc1cc(ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(F)F
Show InChI InChI=1S/C15H20F2O7/c1-2-22-9-5-7(14(16)17)3-4-8(9)23-15-13(21)12(20)11(19)10(6-18)24-15/h3-5,10-15,18-21H,2,6H2,1H3/t10-,11-,12+,13-,15-/m1/s1
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1.00E+5 -23.7n/an/an/an/an/a5.637



Merrell Dow Research Institute



Assay Description
The enzyme activity was measured by monitoring the increase in absorbance at 400 nm due to hydrolysis of para-nitrophenyl-beta-glucopyranoside. All ...


Citation and Details
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


Citation and Details
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


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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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


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


(Agrobacterium tumefaciens)
BDBM50018017
PNG
(CHEMBL3289678)
Show SMILES OC[C@H]1N[C@H](C#N)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C7H12N2O4/c8-1-3-5(11)7(13)6(12)4(2-10)9-3/h3-7,9-13H,2H2/t3-,4-,5+,6-,7-/m1/s1
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1.72E+5n/an/an/an/an/an/an/an/a



Technical University Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta glucosidase using 2,4-dinitrophenyl-beta-D-glucopyranoside as substrate measured for 3 mins


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

More data for this
Ligand-Target Pair
Beta-glucosidase


(Agrobacterium tumefaciens)
BDBM50018016
PNG
(CHEMBL3289677)
Show SMILES O[C@@H]1CN[C@H](C#N)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H10N2O3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,2H2/t3-,4-,5+,6+/m1/s1
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2.20E+5n/an/an/an/an/an/an/an/a



Technical University Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta glucosidase using 2,4-dinitrophenyl-beta-D-glucopyranoside as substrate measured for 3 mins


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

More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50104308
PNG
(CHEMBL445624 | N-Benzyl-N-(3,4-dihydroxy-pyrrolidi...)
Show SMILES CC(=O)N(CC1NCC(O)C1O)Cc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c1-10(17)16(8-11-5-3-2-4-6-11)9-12-14(19)13(18)7-15-12/h2-6,12-15,18-19H,7-9H2,1H3
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2.20E+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 Almond


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


(Prunus avium)
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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3.40E+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 Almond


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


(Prunus dulcis)
BDBM85300
PNG
(Glucosidase inhibitor, 11)
Show SMILES COc1cc(CF)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C14H19FO7/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-4,10-14,16-19H,5-6H2,1H3/t10-,11-,12+,13-,14-/m1/s1
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8.00E+5 -18.4n/an/an/an/an/a5.637



Merrell Dow Research Institute



Assay Description
The enzyme activity was measured by monitoring the increase in absorbance at 400 nm due to hydrolysis of para-nitrophenyl-beta-glucopyranoside. All ...


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


(Prunus dulcis)
BDBM85299
PNG
(Glucosidase inhibitor, 6f)
Show SMILES COc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(c1)C(F)F
Show InChI InChI=1S/C14H18F2O7/c1-21-6-2-3-8(7(4-6)13(15)16)22-14-12(20)11(19)10(18)9(5-17)23-14/h2-4,9-14,17-20H,5H2,1H3/t9-,10-,11+,12-,14-/m1/s1
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9.00E+5 -18.1n/an/an/an/an/a5.637



Merrell Dow Research Institute



Assay Description
The enzyme activity was measured by monitoring the increase in absorbance at 400 nm due to hydrolysis of para-nitrophenyl-beta-glucopyranoside. All ...


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


(Prunus avium)
BDBM50186734
PNG
(CHEMBL207910 | D-1,4-dideoxy-4,4-difluoronojirimyc...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5+/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Hansenula anomala)
BDBM50186736
PNG
(CHEMBL380311 | L-1,4-dideoxy-4,4-difluorogulonojir...)
Show SMILES OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces fragilis beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50186736
PNG
(CHEMBL380311 | L-1,4-dideoxy-4,4-difluorogulonojir...)
Show SMILES OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Aspergillus aculeatus)
BDBM50186732
PNG
(CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus oryzae beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Aspergillus aculeatus)
BDBM50186736
PNG
(CHEMBL380311 | L-1,4-dideoxy-4,4-difluorogulonojir...)
Show SMILES OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus oryzae beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Hansenula anomala)
BDBM50186735
PNG
(CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces fragilis beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50186732
PNG
(CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50186733
PNG
(CHEMBL208152 | L-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Hansenula anomala)
BDBM50186733
PNG
(CHEMBL208152 | L-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces fragilis beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Aspergillus aculeatus)
BDBM50186733
PNG
(CHEMBL208152 | L-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus oryzae beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Aspergillus aculeatus)
BDBM50186734
PNG
(CHEMBL207910 | D-1,4-dideoxy-4,4-difluoronojirimyc...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5+/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus oryzae beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Hansenula anomala)
BDBM50186732
PNG
(CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces fragilis beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50186732
PNG
(CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond beta glucosidase at pH 5


J Med Chem 49: 2989-97 (2006)

More data for this
Ligand-Target Pair
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