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Compile Data Set for Download or QSAR

Found 21 hits of ic50 data for polymerid = 50003255   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-glucosidase


(Prunus avium)
BDBM50156353
PNG
(2-Hexyl-6-hydroxymethyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCC1NC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C12H25NO4/c1-2-3-4-5-6-8-10(15)12(17)11(16)9(7-14)13-8/h8-17H,2-7H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Glucosidase from sweet almond


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
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 2.70E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Glucosidase from sweet almond


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
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 3.40E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Glucosidase from sweet almond


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
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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n/an/a 7.00E+4n/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Alpha-mannosidase from Jack bean


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


BindingDB Entry DOI: 10.7270/Q2H70GBZ
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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n/an/a 8.10E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Glucosidase from sweet almond


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
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 |r|
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 1.20E+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 Almond


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


BindingDB Entry DOI: 10.7270/Q2H70GBZ
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 |r|
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 1.20E+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 Almond


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


BindingDB Entry DOI: 10.7270/Q2H70GBZ
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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n/an/a 1.40E+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 Almond


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


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
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 1.50E+5n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Glucosidase from sweet almond


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
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 1.50E+5n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Glucosidase from sweet almond


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50104301
PNG
(2-[((R)-1-Hydroxy-ethylamino)-methyl]-pyrrolidine-...)
Show SMILES C[C@H](O)NC[C@H]1NC[C@H](O)[C@@H]1O |r|
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 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 Almond


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


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
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 3.50E+5n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Glucosidase from sweet almond


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50104307
PNG
(2-(Benzylamino-methyl)-pyrrolidine-3,4-diol | CHEM...)
Show SMILES OC1CNC(CNCc2ccccc2)C1O
Show InChI InChI=1S/C12H18N2O2/c15-11-8-14-10(12(11)16)7-13-6-9-4-2-1-3-5-9/h1-5,10-16H,6-8H2
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n/an/a 3.70E+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 Almond


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


BindingDB Entry DOI: 10.7270/Q2H70GBZ
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)NC[C@H]1NC[C@H](O)[C@@H]1O |r|
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 4.10E+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 Almond


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


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
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 4.20E+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 Almond


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


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
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 4.30E+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 Almond


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


BindingDB Entry DOI: 10.7270/Q2H70GBZ
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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n/an/a 4.30E+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 Almond


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


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50104300
PNG
(2-Cyclopentylaminomethyl-pyrrolidine-3,4-diol | CH...)
Show SMILES OC1CNC(CNC2CCCC2)C1O
Show InChI InChI=1S/C10H20N2O2/c13-9-6-12-8(10(9)14)5-11-7-3-1-2-4-7/h7-14H,1-6H2
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n/an/a 5.00E+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 Almond


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


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
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 5.50E+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 Almond


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


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50402978
PNG
(CHEMBL2207396)
Show SMILES O[C@H]1CNC[C@H]1O |r|
Show InChI InChI=1S/C4H9NO2/c6-3-1-5-2-4(3)7/h3-7H,1-2H2/t3-,4+
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n/an/a 6.00E+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 Almond


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


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
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 9.00E+5n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Glucosidase from sweet almond


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair