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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with Target = 'Beta-glucocerebrosidase '   
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-glucocerebrosidase


(Mus musculus (Mouse))
BDBM50289174
PNG
((1R,3S,6R)-4-Hydroxymethyl-6-octylamino-cyclohex-4...)
Show SMILES CCCCCCCCNC1C=C(CO)C(O)C(O)C1O
Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3
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n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for inhibitory activity against beta-glucocerebrosidase.


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


(Mus musculus (Mouse))
BDBM50289176
PNG
((1R,3S,6R)-6-Decylamino-4-hydroxymethyl-cyclohex-4...)
Show SMILES CCCCCCCCCCNC1C=C(CO)C(O)C(O)C1O
Show InChI InChI=1S/C17H33NO4/c1-2-3-4-5-6-7-8-9-10-18-14-11-13(12-19)15(20)17(22)16(14)21/h11,14-22H,2-10,12H2,1H3
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n/an/a 70n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for inhibitory activity against beta-glucocerebrosidase.


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


(Mus musculus (Mouse))
BDBM50289178
PNG
((1R,3S,6R)-4-Hydroxymethyl-6-tetradecylamino-cyclo...)
Show SMILES CCCCCCCCCCCCCCNC1C=C(CO)C(O)C(O)C1O
Show InChI InChI=1S/C21H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-18-15-17(16-23)19(24)21(26)20(18)25/h15,18-26H,2-14,16H2,1H3
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n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for inhibitory activity against beta-glucocerebrosidase.


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


(Mus musculus (Mouse))
BDBM50289179
PNG
((1R,3S,6R)-4-Hydroxymethyl-6-octadecylamino-cycloh...)
Show SMILES CCCCCCCCCCCCCCCCCCNC1C=C(CO)C(O)C(O)C1O
Show InChI InChI=1S/C25H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-22-19-21(20-27)23(28)25(30)24(22)29/h19,22-30H,2-18,20H2,1H3
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TBA

Assay Description
Compound was tested for inhibitory activity against beta-glucocerebrosidase.


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


(Mus musculus (Mouse))
BDBM50289177
PNG
(CHEMBL369361 | Hexadecanoic acid {(E)-(1S,2R)-2-hy...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CNC1C=C(CO)C(O)C(O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC
Show InChI InChI=1S/C41H78N2O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(45)36(32-42-35-31-34(33-44)39(47)41(49)40(35)48)43-38(46)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,31,35-37,39-42,44-45,47-49H,3-26,28,30,32-33H2,1-2H3,(H,43,46)/b29-27+/t35?,36-,37+,39?,40?,41?/m0/s1
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TBA

Assay Description
Compound was tested for inhibitory activity against beta-glucocerebrosidase.


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


(Mus musculus (Mouse))
BDBM50289175
PNG
((1R,3S,6R)-6-Hexylamino-4-hydroxymethyl-cyclohex-4...)
Show SMILES CCCCCCNC1C=C(CO)C(O)C(O)C1O
Show InChI InChI=1S/C13H25NO4/c1-2-3-4-5-6-14-10-7-9(8-15)11(16)13(18)12(10)17/h7,10-18H,2-6,8H2,1H3
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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for inhibitory activity against beta-glucocerebrosidase.


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


(Mus musculus (Mouse))
BDBM50289758
PNG
(CHEMBL59041 | Decanoic acid {(1S,2S)-2-hydroxy-2-p...)
Show SMILES CCCCCCCCCC(=O)N[C@@H](CNC1C=C(CO)C(O)C(O)C1O)[C@@H](O)c1ccccc1
Show InChI InChI=1S/C26H42N2O6/c1-2-3-4-5-6-7-11-14-22(30)28-21(23(31)18-12-9-8-10-13-18)16-27-20-15-19(17-29)24(32)26(34)25(20)33/h8-10,12-13,15,20-21,23-27,29,31-34H,2-7,11,14,16-17H2,1H3,(H,28,30)/t20?,21-,23-,24?,25?,26?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Compound tested for inhibitory activity against beta-glucocerebrosidase enzyme


Bioorg Med Chem Lett 7: 1915-1920 (1997)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM50289762
PNG
(CHEMBL57497 | Decanoic acid {(1S,2R)-2-hydroxy-2-p...)
Show SMILES CCCCCCCCCC(=O)N[C@@H](CNC1C=C(CO)C(O)C(O)C1O)[C@H](O)c1ccccc1
Show InChI InChI=1S/C26H42N2O6/c1-2-3-4-5-6-7-11-14-22(30)28-21(23(31)18-12-9-8-10-13-18)16-27-20-15-19(17-29)24(32)26(34)25(20)33/h8-10,12-13,15,20-21,23-27,29,31-34H,2-7,11,14,16-17H2,1H3,(H,28,30)/t20?,21-,23+,24?,25?,26?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Compound tested for inhibitory activity against beta-glucocerebrosidase enzyme


Bioorg Med Chem Lett 7: 1915-1920 (1997)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM50403615
PNG
(CHEMBL2115067)
Show SMILES CCCCCCCCCC(=O)N[C@H](CN[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)c1ccccc1
Show InChI InChI=1S/C26H42N2O6/c1-2-3-4-5-6-7-11-14-22(30)28-21(23(31)18-12-9-8-10-13-18)16-27-20-15-19(17-29)24(32)26(34)25(20)33/h8-10,12-13,15,20-21,23-27,29,31-34H,2-7,11,14,16-17H2,1H3,(H,28,30)/t20-,21-,23-,24-,25-,26+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Compound tested for inhibitory activity against beta-glucocerebrosidase enzyme


Bioorg Med Chem Lett 7: 1915-1920 (1997)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM50289754
PNG
(CHEMBL57496 | Decanoic acid {(1R,2S)-2-hydroxy-2-p...)
Show SMILES CCCCCCCCCC(=O)N[C@H](CNC1C=C(CO)C(O)C(O)C1O)[C@@H](O)c1ccccc1
Show InChI InChI=1S/C26H42N2O6/c1-2-3-4-5-6-7-11-14-22(30)28-21(23(31)18-12-9-8-10-13-18)16-27-20-15-19(17-29)24(32)26(34)25(20)33/h8-10,12-13,15,20-21,23-27,29,31-34H,2-7,11,14,16-17H2,1H3,(H,28,30)/t20?,21-,23+,24?,25?,26?/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Compound tested for inhibitory activity against beta-glucocerebrosidase enzyme


Bioorg Med Chem Lett 7: 1915-1920 (1997)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM50078113
PNG
((1S,2R,3S,4R,6R)-7-Oxa-bicyclo[4.1.0]heptane-2,3,4...)
Show SMILES O[C@@H]1C[C@H]2O[C@H]2[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H10O4/c7-2-1-3-6(10-3)5(9)4(2)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1
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n/an/a 960n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity against Glucosylceramidase in mouse liver


Bioorg Med Chem Lett 9: 1493-8 (1999)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM175515
PNG
(US9119845, 16)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)CCN1CC1CCNCC1
Show InChI InChI=1/C12H24N2O3/c15-8-10-12(17)11(16)3-6-14(10)7-9-1-4-13-5-2-9/h9-13,15-17H,1-8H2/t10-,11-,12-/s2
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440n/a 1.07E+3n/a 6.90E+3n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM50078114
PNG
((1S,2R,3S,4S,5R,6R)-7-Oxa-bicyclo[4.1.0]heptane-2,...)
Show SMILES O[C@H]1[C@H]2O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H/t1-,2-,3+,4+,5-,6+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for inhibitory activity against beta-glucocerebrosidase.


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


(Mus musculus (Mouse))
BDBM175523
PNG
(US9119845, 24)
Show SMILES CC(C)CCCN1CC[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1/C12H25NO3/c1-9(2)4-3-6-13-7-5-11(15)12(16)10(13)8-14/h9-12,14-16H,3-8H2,1-2H3/t10-,11-,12-/s2
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880n/a 2.13E+3n/a 3.05E+4n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM175503
PNG
(US9119845, 4)
Show SMILES CC(C)=CCN1CC[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1/C11H21NO3/c1-8(2)3-5-12-6-4-10(14)11(15)9(12)7-13/h3,9-11,13-15H,4-7H2,1-2H3/t9-,10-,11-/s2
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1.66E+3n/a 4.00E+3n/a 6.30E+4n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM50289759
PNG
(CHEMBL56112 | Decanoic acid {(1S,2R)-2-hydroxy-2-p...)
Show SMILES CCCCCCCCCC(=O)N[C@@H](CNC1CC(CO)C(O)C(O)C1O)[C@H](O)c1ccccc1
Show InChI InChI=1S/C26H44N2O6/c1-2-3-4-5-6-7-11-14-22(30)28-21(23(31)18-12-9-8-10-13-18)16-27-20-15-19(17-29)24(32)26(34)25(20)33/h8-10,12-13,19-21,23-27,29,31-34H,2-7,11,14-17H2,1H3,(H,28,30)/t19?,20?,21-,23+,24?,25?,26?/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound tested for inhibitory activity against beta-glucocerebrosidase enzyme


Bioorg Med Chem Lett 7: 1915-1920 (1997)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM175504
PNG
(US9119845, 5)
Show SMILES COCCN1CC[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1/C9H19NO4/c1-14-5-4-10-3-2-8(12)9(13)7(10)6-11/h7-9,11-13H,2-6H2,1H3/t7-,8-,9-/s2
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2.48E+3n/a 5.99E+3n/a 6.07E+4n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM50289761
PNG
(CHEMBL58383 | Decanoic acid {(1R,2S)-2-hydroxy-2-p...)
Show SMILES CCCCCCCCCC(=O)N[C@H](CNC1CC(CO)C(O)C(O)C1O)[C@@H](O)c1ccccc1
Show InChI InChI=1S/C26H44N2O6/c1-2-3-4-5-6-7-11-14-22(30)28-21(23(31)18-12-9-8-10-13-18)16-27-20-15-19(17-29)24(32)26(34)25(20)33/h8-10,12-13,19-21,23-27,29,31-34H,2-7,11,14-17H2,1H3,(H,28,30)/t19?,20?,21-,23+,24?,25?,26?/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound tested for inhibitory activity against beta-glucocerebrosidase enzyme


Bioorg Med Chem Lett 7: 1915-1920 (1997)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM175512
PNG
(US9119845, 13)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)CCN1CCc1ccccc1
Show InChI InChI=1/C14H21NO3/c16-10-12-14(18)13(17)7-9-15(12)8-6-11-4-2-1-3-5-11/h1-5,12-14,16-18H,6-10H2/t12-,13-,14-/s2
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3.11E+3n/a 7.50E+3n/a 2.20E+3n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM50078114
PNG
((1S,2R,3S,4S,5R,6R)-7-Oxa-bicyclo[4.1.0]heptane-2,...)
Show SMILES O[C@H]1[C@H]2O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H/t1-,2-,3+,4+,5-,6+/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Specific inhibitory activity against Glucosylceramidase in mouse liver


Bioorg Med Chem Lett 9: 1493-8 (1999)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM175511
PNG
(US9119845, 12)
Show SMILES Nc1ccc(CN2CC[C@@H](O)[C@H](O)[C@H]2CO)cc1
Show InChI InChI=1/C13H20N2O3/c14-10-3-1-9(2-4-10)7-15-6-5-12(17)13(18)11(15)8-16/h1-4,11-13,16-18H,5-8,14H2/t11-,12-,13-/s2
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US Patent
3.88E+3n/a 9.36E+3n/a 7.70E+3n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM50289756
PNG
(CHEMBL59211 | Decanoic acid {(1R,2R)-2-hydroxy-2-p...)
Show SMILES CCCCCCCCCC(=O)N[C@H](CNC1CC(CO)C(O)C(O)C1O)[C@H](O)c1ccccc1
Show InChI InChI=1S/C26H44N2O6/c1-2-3-4-5-6-7-11-14-22(30)28-21(23(31)18-12-9-8-10-13-18)16-27-20-15-19(17-29)24(32)26(34)25(20)33/h8-10,12-13,19-21,23-27,29,31-34H,2-7,11,14-17H2,1H3,(H,28,30)/t19?,20?,21-,23-,24?,25?,26?/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound tested for inhibitory activity against beta-glucocerebrosidase enzyme


Bioorg Med Chem Lett 7: 1915-1920 (1997)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM50289173
PNG
((1R,3S,6R)-6-Butylamino-4-hydroxymethyl-cyclohex-4...)
Show SMILES CCCCNC1C=C(CO)C(O)C(O)C1O
Show InChI InChI=1S/C11H21NO4/c1-2-3-4-12-8-5-7(6-13)9(14)11(16)10(8)15/h5,8-16H,2-4,6H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for inhibitory activity against beta-glucocerebrosidase.


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


(Mus musculus (Mouse))
BDBM175507
PNG
(US9119845, 8)
Show SMILES Cc1cccc(CN2CC[C@@H](O)[C@H](O)[C@H]2CO)c1
Show InChI InChI=1/C14H21NO3/c1-10-3-2-4-11(7-10)8-15-6-5-13(17)14(18)12(15)9-16/h2-4,7,12-14,16-18H,5-6,8-9H2,1H3/t12-,13-,14-/s2
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5.26E+3n/a 1.27E+4n/a 1.16E+4n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM175522
PNG
(US9119845, 23)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)CCN1CC1CCCC1
Show InChI InChI=1/C12H23NO3/c14-8-10-12(16)11(15)5-6-13(10)7-9-3-1-2-4-9/h9-12,14-16H,1-8H2/t10-,11-,12-/s2
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6.48E+3n/a 1.56E+4n/a 1.88E+4n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM175518
PNG
(US9119845, 19)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccncc1
Show InChI InChI=1/C12H18N2O3/c15-8-10-12(17)11(16)3-6-14(10)7-9-1-4-13-5-2-9/h1-2,4-5,10-12,15-17H,3,6-8H2/t10-,11-,12-/s2
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8.02E+3n/a 1.94E+4n/a 3.50E+4n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM50289760
PNG
(CHEMBL56113 | Decanoic acid {(1S,2S)-2-hydroxy-2-p...)
Show SMILES CCCCCCCCCC(=O)N[C@@H](CNC1CC(CO)C(O)C(O)C1O)[C@@H](O)c1ccccc1
Show InChI InChI=1S/C26H44N2O6/c1-2-3-4-5-6-7-11-14-22(30)28-21(23(31)18-12-9-8-10-13-18)16-27-20-15-19(17-29)24(32)26(34)25(20)33/h8-10,12-13,19-21,23-27,29,31-34H,2-7,11,14-17H2,1H3,(H,28,30)/t19?,20?,21-,23-,24?,25?,26?/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound tested for inhibitory activity against beta-glucocerebrosidase enzyme


Bioorg Med Chem Lett 7: 1915-1920 (1997)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM175517
PNG
(US9119845, 18)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1cccs1
Show InChI InChI=1/C11H17NO3S/c13-7-9-11(15)10(14)3-4-12(9)6-8-2-1-5-16-8/h1-2,5,9-11,13-15H,3-4,6-7H2/t9-,10-,11-/s2
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1.14E+4n/a 2.76E+4n/a 1.39E+5n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM175500
PNG
(US9119845, 1)
Show SMILES CCCN1CC[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1/C9H19NO3/c1-2-4-10-5-3-8(12)9(13)7(10)6-11/h7-9,11-13H,2-6H2,1H3/t7-,8-,9-/s2
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1.48E+4n/a 3.58E+4n/a 6.59E+4n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM175502
PNG
(US9119845, 3)
Show SMILES CCCCCCCN1CC[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1/C13H27NO3/c1-2-3-4-5-6-8-14-9-7-12(16)13(17)11(14)10-15/h11-13,15-17H,2-10H2,1H3/t11-,12-,13-/s2
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1.73E+4n/a 4.17E+4n/a 9.99E+3n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM175524
PNG
(US9119845, 25)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1/C13H18N2O5/c16-8-11-13(18)12(17)5-6-14(11)7-9-1-3-10(4-2-9)15(19)20/h1-4,11-13,16-18H,5-8H2/t11-,12-,13-/s2
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1.86E+4n/a 4.50E+4n/a 1.64E+4n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM175514
PNG
(US9119845, 15)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)CCN1CC1CCOCC1
Show InChI InChI=1/C12H23NO4/c14-8-10-12(16)11(15)1-4-13(10)7-9-2-5-17-6-3-9/h9-12,14-16H,1-8H2/t10-,11-,12-/s2
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2.04E+4n/a 4.92E+4n/a 6.83E+4n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM175506
PNG
(US9119845, 7)
Show SMILES Cc1ccccc1CN1CC[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1/C14H21NO3/c1-10-4-2-3-5-11(10)8-15-7-6-13(17)14(18)12(15)9-16/h2-5,12-14,16-18H,6-9H2,1H3/t12-,13-,14-/s2
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2.88E+4n/a 6.95E+4n/a 4.64E+4n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM50078112
PNG
((1R,2S,3R,5R,6S)-7-Oxa-bicyclo[4.1.0]heptane-2,3,5...)
Show SMILES O[C@@H]1C[C@@H](O)[C@H](O)[C@H]2O[C@@H]12
Show InChI InChI=1S/C6H10O4/c7-2-1-3(8)5-6(10-5)4(2)9/h2-9H,1H2/t2-,3-,4+,5+,6-/m1/s1
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n/an/a 9.80E+4n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity against Glucosylceramidase in mouse liver


Bioorg Med Chem Lett 9: 1493-8 (1999)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM175508
PNG
(US9119845, 9)
Show SMILES Cc1ccc(CN2CC[C@@H](O)[C@H](O)[C@H]2CO)cc1
Show InChI InChI=1/C14H21NO3/c1-10-2-4-11(5-3-10)8-15-7-6-13(17)14(18)12(15)9-16/h2-5,12-14,16-18H,6-9H2,1H3/t12-,13-,14-/s2
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5.37E+4n/a 1.30E+5n/a 1.45E+5n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM175505
PNG
(US9119845, 6)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccccc1
Show InChI InChI=1/C13H19NO3/c15-9-11-13(17)12(16)6-7-14(11)8-10-4-2-1-3-5-10/h1-5,11-13,15-17H,6-9H2/t11-,12-,13-/s2
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8.30E+4n/a 2.00E+5n/a 1.15E+5n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM175509
PNG
(US9119845, 10)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccc(F)cc1
Show InChI InChI=1/C13H18FNO3/c14-10-3-1-9(2-4-10)7-15-6-5-12(17)13(18)11(15)8-16/h1-4,11-13,16-18H,5-8H2/t11-,12-,13-/s2
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1.12E+5n/a 2.70E+5n/a 7.06E+4n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM175516
PNG
(US9119845, 17)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccco1
Show InChI InChI=1/C11H17NO4/c13-7-9-11(15)10(14)3-4-12(9)6-8-2-1-5-16-8/h1-2,5,9-11,13-15H,3-4,6-7H2/t9-,10-,11-/s2
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1.16E+5n/a 2.80E+5n/a 6.56E+4n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair
Beta-glucocerebrosidase


(Mus musculus (Mouse))
BDBM175501
PNG
(US9119845, 2)
Show SMILES CCCCCC1CC[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1/C12H24O3/c1-2-3-4-5-9-6-7-11(14)12(15)10(9)8-13/h9-15H,2-8H2,1H3/t9?,10-,11+,12+/s2
PDB

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4.06E+5n/a 9.80E+5n/a 2.66E+5n/an/an/an/a



Amicus Therapeautics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 ...


US Patent US9119845 (2015)

More data for this
Ligand-Target Pair