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Compile Data Set for Download or QSAR

Found 198 hits Enz. Inhib. hit(s) with Target = 'Beta-glucosidase' AND taxid = 9606   
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


(Homo sapiens)
BDBM50299749
PNG
((2R,3R,4R,5S)-1-[5-(Adamantan-1-ylmethoxy)-pentyl]...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1
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n/an/a 0.00100n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human GBA2


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


(Homo sapiens)
BDBM50028179
PNG
(CHEMBL3354624)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1F)-c1ccccc1
Show InChI InChI=1/C24H32FNO5/c25-20-13-18(17-7-3-1-4-8-17)9-10-19(20)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27/h1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2/t21-,22+,23-,24-/s2
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n/an/a 0.0800n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028180
PNG
(CHEMBL3354625)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1/C24H32FNO5/c25-20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27/h1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2/t21-,22+,23-,24-/s2
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n/an/a 0.0800n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028244
PNG
(CHEMBL3354627)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1/C25H32F3NO5/c26-25(27,28)20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-34-12-6-2-5-11-29-14-22(31)24(33)23(32)21(29)15-30/h1,3-4,7-10,13,21-24,30-33H,2,5-6,11-12,14-16H2/t21-,22+,23-,24-/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028255
PNG
(CHEMBL3354635)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1/C25H32F3NO5/c26-25(27,28)20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-34-12-6-2-5-11-29-14-22(31)24(33)23(32)21(29)15-30/h1,3-4,7-10,13,21-24,30-33H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/s2
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n/an/a 0.100n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028254
PNG
(CHEMBL3354634)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1C(F)(F)F)-c1ccccc1
Show InChI InChI=1/C25H32F3NO5/c26-25(27,28)20-13-18(17-7-3-1-4-8-17)9-10-19(20)16-34-12-6-2-5-11-29-14-22(31)24(33)23(32)21(29)15-30/h1,3-4,7-10,13,21-24,30-33H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028181
PNG
(CHEMBL3354626)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1C(F)(F)F)-c1ccccc1
Show InChI InChI=1/C25H32F3NO5/c26-25(27,28)20-13-18(17-7-3-1-4-8-17)9-10-19(20)16-34-12-6-2-5-11-29-14-22(31)24(33)23(32)21(29)15-30/h1,3-4,7-10,13,21-24,30-33H,2,5-6,11-12,14-16H2/t21-,22+,23-,24-/s2
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n/an/a 0.120n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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n/an/a 0.230n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human GBA2


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


(Homo sapiens)
BDBM50299749
PNG
((2R,3R,4R,5S)-1-[5-(Adamantan-1-ylmethoxy)-pentyl]...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of non-lysosomal glucosylceramidase in cultured melanoma cells


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


(Homo sapiens)
BDBM50028256
PNG
(CHEMBL3354636)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1F)-c1ccccc1
Show InChI InChI=1/C24H32FNO5/c25-20-13-18(17-7-3-1-4-8-17)9-10-19(20)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27/h1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/s2
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n/an/a 0.400n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028221
PNG
(CHEMBL3354041)
Show SMILES Cc1ccccc1-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1
Show InChI InChI=1/C25H35NO5/c1-18-7-3-4-8-21(18)20-11-9-19(10-12-20)17-31-14-6-2-5-13-26-15-23(28)25(30)24(29)22(26)16-27/h3-4,7-12,22-25,27-30H,2,5-6,13-17H2,1H3/t22-,23+,24-,25-/s2
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n/an/a 0.5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028257
PNG
(CHEMBL3354637)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1/C24H32FNO5/c25-20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27/h1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/s2
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n/an/a 0.600n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50312529
PNG
(CHEMBL1088158 | N-[5-(Adamantan-1-yl-methoxy)-pent...)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20+,21-,22?/m1/s1
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028249
PNG
(CHEMBL3354629)
Show SMILES C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C25H35NO5/c1-18(19-10-12-21(13-11-19)20-8-4-2-5-9-20)31-15-7-3-6-14-26-16-23(28)25(30)24(29)22(26)17-27/h2,4-5,8-13,18,22-25,27-30H,3,6-7,14-17H2,1H3/t18-,22+,23+,24-,25-/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50299749
PNG
((2R,3R,4R,5S)-1-[5-(Adamantan-1-ylmethoxy)-pentyl]...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant GBA2 preincuabated with compound for 30 mins using 4-methylumbelliferyl-B-glucoside substrate by fluorimetric assay


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


(Homo sapiens)
BDBM50299749
PNG
((2R,3R,4R,5S)-1-[5-(Adamantan-1-ylmethoxy)-pentyl]...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1
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TBA

Assay Description
Inhibition of glucosylceramidase 2 from spleen of patient with gaucher's disease by fluorimetric analysis


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


(Homo sapiens)
BDBM50312527
PNG
(CHEMBL1086996 | N-[5-(Adamantan-1-yl-methoxy)-pent...)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19-,20+,21+,22?/m0/s1
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 by HPLC


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


(Homo sapiens)
BDBM50312529
PNG
(CHEMBL1088158 | N-[5-(Adamantan-1-yl-methoxy)-pent...)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20+,21-,22?/m1/s1
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 by HPLC


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


(Homo sapiens)
BDBM50028176
PNG
(CHEMBL3354621)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC(F)(F)COCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C24H31F2NO5/c25-24(26,11-4-12-27-13-21(29)23(31)22(30)20(27)14-28)16-32-15-17-7-9-19(10-8-17)18-5-2-1-3-6-18/h1-3,5-10,20-23,28-31H,4,11-16H2/t20-,21+,22-,23-/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50312527
PNG
(CHEMBL1086996 | N-[5-(Adamantan-1-yl-methoxy)-pent...)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19-,20+,21+,22?/m0/s1
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028188
PNG
(CHEMBL3354019)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC1C2CC3CC(C2)CC1C3
Show InChI InChI=1/C22H39NO5/c24-12-19-21(26)22(27)20(25)11-23(19)4-2-1-3-5-28-13-18-16-7-14-6-15(9-16)10-17(18)8-14/h14-22,24-27H,1-13H2/t14?,15?,16?,17?,18?,19-,20+,21-,22-/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028203
PNG
(CHEMBL3354021)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1
Show InChI InChI=1/C18H29NO5/c20-12-15-17(22)18(23)16(21)11-19(15)9-5-2-6-10-24-13-14-7-3-1-4-8-14/h1,3-4,7-8,15-18,20-23H,2,5-6,9-13H2/t15-,16+,17-,18-/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028204
PNG
(CHEMBL3354022)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccccc2c1
Show InChI InChI=1/C22H31NO5/c24-14-19-21(26)22(27)20(25)13-23(19)10-4-1-5-11-28-15-16-8-9-17-6-2-3-7-18(17)12-16/h2-3,6-9,12,19-22,24-27H,1,4-5,10-11,13-15H2/t19-,20+,21-,22-/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028215
PNG
(CHEMBL3354035)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccccc2c1
Show InChI InChI=1/C22H31NO5/c24-14-19-21(26)22(27)20(25)13-23(19)10-4-1-5-11-28-15-16-8-9-17-6-2-3-7-18(17)12-16/h2-3,6-9,12,19-22,24-27H,1,4-5,10-11,13-15H2/t19-,20-,21+,22+/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028217
PNG
(CHEMBL3354037)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccc3cccc4ccc1c2c34
Show InChI InChI=1/C28H33NO5/c30-16-23-27(32)28(33)24(31)15-29(23)13-2-1-3-14-34-17-21-10-9-20-8-7-18-5-4-6-19-11-12-22(21)26(20)25(18)19/h4-12,23-24,27-28,30-33H,1-3,13-17H2/t23-,24-,27+,28+/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028229
PNG
(CHEMBL3354048)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1/C24H32FNO5/c25-20-10-8-19(9-11-20)18-6-4-17(5-7-18)16-31-13-3-1-2-12-26-14-22(28)24(30)23(29)21(26)15-27/h4-11,21-24,27-30H,1-3,12-16H2/t21-,22+,23-,24-/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028230
PNG
(CHEMBL3354049)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cccc(F)c1
Show InChI InChI=1/C24H32FNO5/c25-20-6-4-5-19(13-20)18-9-7-17(8-10-18)16-31-12-3-1-2-11-26-14-22(28)24(30)23(29)21(26)15-27/h4-10,13,21-24,27-30H,1-3,11-12,14-16H2/t21-,22+,23-,24-/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50299749
PNG
((2R,3R,4R,5S)-1-[5-(Adamantan-1-ylmethoxy)-pentyl]...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 by HPLC


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


(Homo sapiens)
BDBM50028251
PNG
(CHEMBL3354631)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cccc(c1)-c1ccccc1
Show InChI InChI=1/C24H33NO5/c26-16-21-23(28)24(29)22(27)15-25(21)12-5-2-6-13-30-17-18-8-7-11-20(14-18)19-9-3-1-4-10-19/h1,3-4,7-11,14,21-24,26-29H,2,5-6,12-13,15-17H2/t21-,22-,23+,24+/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028252
PNG
(CHEMBL3354632)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC(F)(F)CCCOCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C24H31F2NO5/c25-24(26,16-27-13-21(29)23(31)22(30)20(27)14-28)11-4-12-32-15-17-7-9-19(10-8-17)18-5-2-1-3-6-18/h1-3,5-10,20-23,28-31H,4,11-16H2/t20-,21-,22+,23+/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028253
PNG
(CHEMBL3354633)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC(F)(F)COCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C24H31F2NO5/c25-24(26,11-4-12-27-13-21(29)23(31)22(30)20(27)14-28)16-32-15-17-7-9-19(10-8-17)18-5-2-1-3-6-18/h1-3,5-10,20-23,28-31H,4,11-16H2/t20-,21-,22+,23+/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028258
PNG
(CHEMBL3354638)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C24H33NO5/c26-16-21-23(28)24(29)22(27)15-25(21)13-5-2-6-14-30-17-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21-24,26-29H,2,5-6,13-17H2/t21-,22+,23+,24-/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028214
PNG
(CHEMBL3354032)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC1C2CC3CC(C2)CC1C3
Show InChI InChI=1/C22H39NO5/c24-12-19-21(26)22(27)20(25)11-23(19)4-2-1-3-5-28-13-18-16-7-14-6-15(9-16)10-17(18)8-14/h14-22,24-27H,1-13H2/t14?,15?,16?,17?,18?,19-,20-,21+,22+/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50242628
PNG
(CHEMBL450985 | N-dodecyldeoxynojirimycin)
Show SMILES CCCCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C18H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-16(21)18(23)17(22)15(19)14-20/h15-18,20-23H,2-14H2,1H3/t15-,16+,17-,18-/m1/s1
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of bile acid beta-glucosidase activity of human liver GBA2


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


(Homo sapiens)
BDBM50299749
PNG
((2R,3R,4R,5S)-1-[5-(Adamantan-1-ylmethoxy)-pentyl]...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1
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University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of non-lysosomal glucosylceramidase


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


(Homo sapiens)
BDBM50299749
PNG
((2R,3R,4R,5S)-1-[5-(Adamantan-1-ylmethoxy)-pentyl]...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028185
PNG
(CHEMBL3354016)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCOCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C23H41NO5/c25-14-19-21(27)22(28)20(26)13-24(19)5-3-1-2-4-6-29-15-23-10-16-7-17(11-23)9-18(8-16)12-23/h16-22,25-28H,1-15H2/t16?,17?,18?,19-,20+,21-,22-,23?/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028207
PNG
(CHEMBL3354025)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C24H33NO5/c26-16-21-23(28)24(29)22(27)15-25(21)13-5-2-6-14-30-17-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21-24,26-29H,2,5-6,13-17H2/t21-,22+,23-,24-/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028220
PNG
(CHEMBL3354040)
Show SMILES Cc1cccc(c1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1
Show InChI InChI=1/C25H35NO5/c1-18-6-5-7-21(14-18)20-10-8-19(9-11-20)17-31-13-4-2-3-12-26-15-23(28)25(30)24(29)22(26)16-27/h5-11,14,22-25,27-30H,2-4,12-13,15-17H2,1H3/t22-,23+,24-,25-/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028226
PNG
(CHEMBL3354046)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1/C25H32N2O5/c26-14-19-5-4-6-21(13-19)20-9-7-18(8-10-20)17-32-12-3-1-2-11-27-15-23(29)25(31)24(30)22(27)16-28/h4-10,13,22-25,28-31H,1-3,11-12,15-17H2/t22-,23+,24-,25-/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028231
PNG
(CHEMBL3354050)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1F
Show InChI InChI=1/C24H32FNO5/c25-20-7-3-2-6-19(20)18-10-8-17(9-11-18)16-31-13-5-1-4-12-26-14-22(28)24(30)23(29)21(26)15-27/h2-3,6-11,21-24,27-30H,1,4-5,12-16H2/t21-,22+,23-,24-/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028232
PNG
(CHEMBL3354051)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1/C24H32ClNO5/c25-20-10-8-19(9-11-20)18-6-4-17(5-7-18)16-31-13-3-1-2-12-26-14-22(28)24(30)23(29)21(26)15-27/h4-11,21-24,27-30H,1-3,12-16H2/t21-,22+,23-,24-/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028235
PNG
(CHEMBL3354054)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc2OCOc2c1
Show InChI InChI=1/C25H33NO7/c27-14-20-24(29)25(30)21(28)13-26(20)10-2-1-3-11-31-15-17-4-6-18(7-5-17)19-8-9-22-23(12-19)33-16-32-22/h4-9,12,20-21,24-25,27-30H,1-3,10-11,13-16H2/t20-,21+,24-,25-/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028173
PNG
(CHEMBL3354063)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cccc(c1)-c1ccccc1
Show InChI InChI=1/C24H33NO5/c26-16-21-23(28)24(29)22(27)15-25(21)12-5-2-6-13-30-17-18-8-7-11-20(14-18)19-9-3-1-4-10-19/h1,3-4,7-11,14,21-24,26-29H,2,5-6,12-13,15-17H2/t21-,22+,23-,24-/s2
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028248
PNG
(CHEMBL3354628)
Show SMILES C[C@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C25H35NO5/c1-18(19-10-12-21(13-11-19)20-8-4-2-5-9-20)31-15-7-3-6-14-26-16-23(28)25(30)24(29)22(26)17-27/h2,4-5,8-13,18,22-25,27-30H,3,6-7,14-17H2,1H3/t18-,22-,23-,24+,25+/s2
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n/an/a 2n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028211
PNG
(CHEMBL3354029)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCOCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C23H41NO5/c25-14-19-21(27)22(28)20(26)13-24(19)5-3-1-2-4-6-29-15-23-10-16-7-17(11-23)9-18(8-16)12-23/h16-22,25-28H,1-15H2/t16?,17?,18?,19-,20-,21+,22+,23?/s2
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n/an/a 2.5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028260
PNG
(CHEMBL3354034)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1
Show InChI InChI=1/C18H29NO5/c20-12-15-17(22)18(23)16(21)11-19(15)9-5-2-6-10-24-13-14-7-3-1-4-8-14/h1,3-4,7-8,15-18,20-23H,2,5-6,9-13H2/t15-,16-,17+,18+/s2
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n/an/a 3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028206
PNG
(CHEMBL3354024)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccc3cccc4ccc1c2c34
Show InChI InChI=1/C28H33NO5/c30-16-23-27(32)28(33)24(31)15-29(23)13-2-1-3-14-34-17-21-10-9-20-8-7-18-5-4-6-19-11-12-22(21)26(20)25(18)19/h4-12,23-24,27-28,30-33H,1-3,13-17H2/t23-,24+,27-,28-/s2
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n/an/a 3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028243
PNG
(CHEMBL3354062)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1-c1ccccc1
Show InChI InChI=1/C24H33NO5/c26-16-21-23(28)24(29)22(27)15-25(21)13-7-2-8-14-30-17-19-11-5-6-12-20(19)18-9-3-1-4-10-18/h1,3-6,9-12,21-24,26-29H,2,7-8,13-17H2/t21-,22+,23-,24-/s2
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n/an/a 3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


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


(Homo sapiens)
BDBM50028225
PNG
(CHEMBL3354045)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1/C25H32N2O5/c26-14-18-4-8-20(9-5-18)21-10-6-19(7-11-21)17-32-13-3-1-2-12-27-15-23(29)25(31)24(30)22(27)16-28/h4-11,22-25,28-31H,1-3,12-13,15-17H2/t22-,23+,24-,25-/s2
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n/an/a 3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
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