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Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with all data for entry = 50040482   
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
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394827
PNG
(CHEMBL2164231)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OCCCCCCCCC |r|
Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25-19-20(26)21(27)22(28)23(29)24(19)30-18-16-14-12-10-8-6-4-2/h19-29H,3-18H2,1-2H3/t19-,20-,21+,22-,23+,24-/m0/s1
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1n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394827
PNG
(CHEMBL2164231)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OCCCCCCCCC |r|
Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25-19-20(26)21(27)22(28)23(29)24(19)30-18-16-14-12-10-8-6-4-2/h19-29H,3-18H2,1-2H3/t19-,20-,21+,22-,23+,24-/m0/s1
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1n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394826
PNG
(CHEMBL2164227)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H31NO5/c1-2-3-4-5-6-7-8-9-16-10-11(17)13(19)15(21)14(20)12(10)18/h10-21H,2-9H2,1H3/t10-,11-,12-,13+,14-,15-/m0/s1
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32n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394826
PNG
(CHEMBL2164227)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H31NO5/c1-2-3-4-5-6-7-8-9-16-10-11(17)13(19)15(21)14(20)12(10)18/h10-21H,2-9H2,1H3/t10-,11-,12-,13+,14-,15-/m0/s1
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32n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394825
PNG
(CHEMBL2164230)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OC |r|
Show InChI InChI=1S/C16H33NO5/c1-3-4-5-6-7-8-9-10-17-11-12(18)13(19)14(20)15(21)16(11)22-2/h11-21H,3-10H2,1-2H3/t11-,12-,13+,14-,15+,16-/m0/s1
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53n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394825
PNG
(CHEMBL2164230)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OC |r|
Show InChI InChI=1S/C16H33NO5/c1-3-4-5-6-7-8-9-10-17-11-12(18)13(19)14(20)15(21)16(11)22-2/h11-21H,3-10H2,1-2H3/t11-,12-,13+,14-,15+,16-/m0/s1
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53n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394824
PNG
(CHEMBL2164232)
Show SMILES CCCCCCCCCO[C@H]1[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H31NO5/c1-2-3-4-5-6-7-8-9-21-15-10(16)11(17)12(18)13(19)14(15)20/h10-15,17-20H,2-9,16H2,1H3/t10-,11-,12+,13-,14+,15-/m0/s1
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130n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394824
PNG
(CHEMBL2164232)
Show SMILES CCCCCCCCCO[C@H]1[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H31NO5/c1-2-3-4-5-6-7-8-9-21-15-10(16)11(17)12(18)13(19)14(15)20/h10-15,17-20H,2-9,16H2,1H3/t10-,11-,12+,13-,14+,15-/m0/s1
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130n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394823
PNG
(CHEMBL2164229)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCCCCCCCCC |r|
Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25-19-20(26)21(27)22(28)23(29)24(19)30-18-16-14-12-10-8-6-4-2/h19-29H,3-18H2,1-2H3/t19-,20-,21+,22-,23+,24+/m0/s1
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280n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394823
PNG
(CHEMBL2164229)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCCCCCCCCC |r|
Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25-19-20(26)21(27)22(28)23(29)24(19)30-18-16-14-12-10-8-6-4-2/h19-29H,3-18H2,1-2H3/t19-,20-,21+,22-,23+,24+/m0/s1
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280n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
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/t12-,13+,14-,15-/m1/s1
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300n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
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/t12-,13+,14-,15-/m1/s1
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300n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394831
PNG
(CHEMBL2164233)
Show SMILES CCCCCCCCCN(CCCCCCCCC)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25(18-16-14-12-10-8-6-4-2)19-20(26)22(28)24(30)23(29)21(19)27/h19-24,26-30H,3-18H2,1-2H3/t19-,20-,21-,22+,23-,24-/m0/s1
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820n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394831
PNG
(CHEMBL2164233)
Show SMILES CCCCCCCCCN(CCCCCCCCC)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25(18-16-14-12-10-8-6-4-2)19-20(26)22(28)24(30)23(29)21(19)27/h19-24,26-30H,3-18H2,1-2H3/t19-,20-,21-,22+,23-,24-/m0/s1
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820n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394830
PNG
(CHEMBL2164228)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC |r|
Show InChI InChI=1S/C16H33NO5/c1-3-4-5-6-7-8-9-10-17-11-12(18)13(19)14(20)15(21)16(11)22-2/h11-21H,3-10H2,1-2H3/t11-,12-,13+,14-,15+,16+/m0/s1
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1.58E+3n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394830
PNG
(CHEMBL2164228)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC |r|
Show InChI InChI=1S/C16H33NO5/c1-3-4-5-6-7-8-9-10-17-11-12(18)13(19)14(20)15(21)16(11)22-2/h11-21H,3-10H2,1-2H3/t11-,12-,13+,14-,15+,16+/m0/s1
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1.58E+3n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394828
PNG
(CHEMBL2163840)
Show SMILES CCCCCCCCCN[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H31NO5/c1-2-3-4-5-6-7-8-9-16-10-11(17)13(19)15(21)14(20)12(10)18/h10-21H,2-9H2,1H3/t10-,11-,12+,13+,14-,15-
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1.90E+3n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394828
PNG
(CHEMBL2163840)
Show SMILES CCCCCCCCCN[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H31NO5/c1-2-3-4-5-6-7-8-9-16-10-11(17)13(19)15(21)14(20)12(10)18/h10-21H,2-9H2,1H3/t10-,11-,12+,13+,14-,15-
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1.90E+3n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394829
PNG
(CHEMBL2163841)
Show SMILES CCCCCCCCCN[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H31NO5/c1-2-3-4-5-6-7-8-9-16-10-11(17)13(19)15(21)14(20)12(10)18/h10-21H,2-9H2,1H3/t10-,11+,12-,13-,14+,15+
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1.79E+4n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394829
PNG
(CHEMBL2163841)
Show SMILES CCCCCCCCCN[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H31NO5/c1-2-3-4-5-6-7-8-9-16-10-11(17)13(19)15(21)14(20)12(10)18/h10-21H,2-9H2,1H3/t10-,11+,12-,13-,14+,15+
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1.79E+4n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394827
PNG
(CHEMBL2164231)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OCCCCCCCCC |r|
Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25-19-20(26)21(27)22(28)23(29)24(19)30-18-16-14-12-10-8-6-4-2/h19-29H,3-18H2,1-2H3/t19-,20-,21+,22-,23+,24-/m0/s1
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n/an/a 4n/an/an/an/a5.2n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394827
PNG
(CHEMBL2164231)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OCCCCCCCCC |r|
Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25-19-20(26)21(27)22(28)23(29)24(19)30-18-16-14-12-10-8-6-4-2/h19-29H,3-18H2,1-2H3/t19-,20-,21+,22-,23+,24-/m0/s1
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n/an/a 4n/an/an/an/a5.2n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394827
PNG
(CHEMBL2164231)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OCCCCCCCCC |r|
Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25-19-20(26)21(27)22(28)23(29)24(19)30-18-16-14-12-10-8-6-4-2/h19-29H,3-18H2,1-2H3/t19-,20-,21+,22-,23+,24-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of lysosomal beta-glucosidase in human fibroblast using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 24 hrs b...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394827
PNG
(CHEMBL2164231)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OCCCCCCCCC |r|
Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25-19-20(26)21(27)22(28)23(29)24(19)30-18-16-14-12-10-8-6-4-2/h19-29H,3-18H2,1-2H3/t19-,20-,21+,22-,23+,24-/m0/s1
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n/an/a 5n/an/an/an/a7.0n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394827
PNG
(CHEMBL2164231)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OCCCCCCCCC |r|
Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25-19-20(26)21(27)22(28)23(29)24(19)30-18-16-14-12-10-8-6-4-2/h19-29H,3-18H2,1-2H3/t19-,20-,21+,22-,23+,24-/m0/s1
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n/an/a 5n/an/an/an/a7.0n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394825
PNG
(CHEMBL2164230)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OC |r|
Show InChI InChI=1S/C16H33NO5/c1-3-4-5-6-7-8-9-10-17-11-12(18)13(19)14(20)15(21)16(11)22-2/h11-21H,3-10H2,1-2H3/t11-,12-,13+,14-,15+,16-/m0/s1
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n/an/a 19n/an/an/an/a7.0n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394825
PNG
(CHEMBL2164230)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OC |r|
Show InChI InChI=1S/C16H33NO5/c1-3-4-5-6-7-8-9-10-17-11-12(18)13(19)14(20)15(21)16(11)22-2/h11-21H,3-10H2,1-2H3/t11-,12-,13+,14-,15+,16-/m0/s1
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n/an/a 19n/an/an/an/a7.0n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394826
PNG
(CHEMBL2164227)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H31NO5/c1-2-3-4-5-6-7-8-9-16-10-11(17)13(19)15(21)14(20)12(10)18/h10-21H,2-9H2,1H3/t10-,11-,12-,13+,14-,15-/m0/s1
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n/an/a 25n/an/an/an/a7.0n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394826
PNG
(CHEMBL2164227)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H31NO5/c1-2-3-4-5-6-7-8-9-16-10-11(17)13(19)15(21)14(20)12(10)18/h10-21H,2-9H2,1H3/t10-,11-,12-,13+,14-,15-/m0/s1
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n/an/a 25n/an/an/an/a7.0n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394826
PNG
(CHEMBL2164227)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H31NO5/c1-2-3-4-5-6-7-8-9-16-10-11(17)13(19)15(21)14(20)12(10)18/h10-21H,2-9H2,1H3/t10-,11-,12-,13+,14-,15-/m0/s1
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n/an/a 80n/an/an/an/a5.2n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394826
PNG
(CHEMBL2164227)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H31NO5/c1-2-3-4-5-6-7-8-9-16-10-11(17)13(19)15(21)14(20)12(10)18/h10-21H,2-9H2,1H3/t10-,11-,12-,13+,14-,15-/m0/s1
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n/an/a 80n/an/an/an/a5.2n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394824
PNG
(CHEMBL2164232)
Show SMILES CCCCCCCCCO[C@H]1[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H31NO5/c1-2-3-4-5-6-7-8-9-21-15-10(16)11(17)12(18)13(19)14(15)20/h10-15,17-20H,2-9,16H2,1H3/t10-,11-,12+,13-,14+,15-/m0/s1
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n/an/a 120n/an/an/an/a7.0n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394824
PNG
(CHEMBL2164232)
Show SMILES CCCCCCCCCO[C@H]1[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H31NO5/c1-2-3-4-5-6-7-8-9-21-15-10(16)11(17)12(18)13(19)14(15)20/h10-15,17-20H,2-9,16H2,1H3/t10-,11-,12+,13-,14+,15-/m0/s1
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n/an/a 120n/an/an/an/a7.0n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394825
PNG
(CHEMBL2164230)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OC |r|
Show InChI InChI=1S/C16H33NO5/c1-3-4-5-6-7-8-9-10-17-11-12(18)13(19)14(20)15(21)16(11)22-2/h11-21H,3-10H2,1-2H3/t11-,12-,13+,14-,15+,16-/m0/s1
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n/an/a 130n/an/an/an/a5.2n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394825
PNG
(CHEMBL2164230)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OC |r|
Show InChI InChI=1S/C16H33NO5/c1-3-4-5-6-7-8-9-10-17-11-12(18)13(19)14(20)15(21)16(11)22-2/h11-21H,3-10H2,1-2H3/t11-,12-,13+,14-,15+,16-/m0/s1
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n/an/a 130n/an/an/an/a5.2n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394823
PNG
(CHEMBL2164229)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCCCCCCCCC |r|
Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25-19-20(26)21(27)22(28)23(29)24(19)30-18-16-14-12-10-8-6-4-2/h19-29H,3-18H2,1-2H3/t19-,20-,21+,22-,23+,24+/m0/s1
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n/an/a 170n/an/an/an/a7.0n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394823
PNG
(CHEMBL2164229)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCCCCCCCCC |r|
Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25-19-20(26)21(27)22(28)23(29)24(19)30-18-16-14-12-10-8-6-4-2/h19-29H,3-18H2,1-2H3/t19-,20-,21+,22-,23+,24+/m0/s1
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n/an/a 170n/an/an/an/a7.0n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
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/t12-,13+,14-,15-/m1/s1
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n/an/a 300n/an/an/an/a7.0n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
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/t12-,13+,14-,15-/m1/s1
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n/an/a 300n/an/an/an/a7.0n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394824
PNG
(CHEMBL2164232)
Show SMILES CCCCCCCCCO[C@H]1[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H31NO5/c1-2-3-4-5-6-7-8-9-21-15-10(16)11(17)12(18)13(19)14(15)20/h10-15,17-20H,2-9,16H2,1H3/t10-,11-,12+,13-,14+,15-/m0/s1
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n/an/a 450n/an/an/an/a5.2n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394824
PNG
(CHEMBL2164232)
Show SMILES CCCCCCCCCO[C@H]1[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H31NO5/c1-2-3-4-5-6-7-8-9-21-15-10(16)11(17)12(18)13(19)14(15)20/h10-15,17-20H,2-9,16H2,1H3/t10-,11-,12+,13-,14+,15-/m0/s1
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n/an/a 450n/an/an/an/a5.2n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394831
PNG
(CHEMBL2164233)
Show SMILES CCCCCCCCCN(CCCCCCCCC)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25(18-16-14-12-10-8-6-4-2)19-20(26)22(28)24(30)23(29)21(19)27/h19-24,26-30H,3-18H2,1-2H3/t19-,20-,21-,22+,23-,24-/m0/s1
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n/an/a 530n/an/an/an/a7.0n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394831
PNG
(CHEMBL2164233)
Show SMILES CCCCCCCCCN(CCCCCCCCC)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25(18-16-14-12-10-8-6-4-2)19-20(26)22(28)24(30)23(29)21(19)27/h19-24,26-30H,3-18H2,1-2H3/t19-,20-,21-,22+,23-,24-/m0/s1
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n/an/a 530n/an/an/an/a7.0n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
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/t12-,13+,14-,15-/m1/s1
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n/an/a 660n/an/an/an/a5.2n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
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/t12-,13+,14-,15-/m1/s1
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n/an/a 660n/an/an/an/a5.2n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394823
PNG
(CHEMBL2164229)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCCCCCCCCC |r|
Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25-19-20(26)21(27)22(28)23(29)24(19)30-18-16-14-12-10-8-6-4-2/h19-29H,3-18H2,1-2H3/t19-,20-,21+,22-,23+,24+/m0/s1
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n/an/a 670n/an/an/an/a5.2n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394830
PNG
(CHEMBL2164228)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC |r|
Show InChI InChI=1S/C16H33NO5/c1-3-4-5-6-7-8-9-10-17-11-12(18)13(19)14(20)15(21)16(11)22-2/h11-21H,3-10H2,1-2H3/t11-,12-,13+,14-,15+,16+/m0/s1
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n/an/a 670n/an/an/an/a7.0n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394830
PNG
(CHEMBL2164228)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC |r|
Show InChI InChI=1S/C16H33NO5/c1-3-4-5-6-7-8-9-10-17-11-12(18)13(19)14(20)15(21)16(11)22-2/h11-21H,3-10H2,1-2H3/t11-,12-,13+,14-,15+,16+/m0/s1
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n/an/a 670n/an/an/an/a7.0n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394823
PNG
(CHEMBL2164229)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCCCCCCCCC |r|
Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25-19-20(26)21(27)22(28)23(29)24(19)30-18-16-14-12-10-8-6-4-2/h19-29H,3-18H2,1-2H3/t19-,20-,21+,22-,23+,24+/m0/s1
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n/an/a 670n/an/an/an/a5.2n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50394828
PNG
(CHEMBL2163840)
Show SMILES CCCCCCCCCN[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H31NO5/c1-2-3-4-5-6-7-8-9-16-10-11(17)13(19)15(21)14(20)12(10)18/h10-21H,2-9H2,1H3/t10-,11-,12+,13+,14-,15-
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n/an/a 780n/an/an/an/a7.0n/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
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