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5 similar compounds to monomer 50320827

Compile data set for download or QSAR
Wt: 189.2
BDBM85131
Wt: 231.3
BDBM85132
Wt: 205.2
BDBM85133
Wt: 273.4
BDBM85134
Wt: 217.3
BDBM50320826

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 85131,85132,85133,85134,50320826   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucosylceramidase


(Homo sapiens (human))
BDBM85134
PNG
(Isofagomine derivative, 7)
Show SMILES CCCCCCCCCC1NCC(O)C(O)C1CO
Show InChI InChI=1S/C15H31NO3/c1-2-3-4-5-6-7-8-9-13-12(11-17)15(19)14(18)10-16-13/h12-19H,2-11H2,1H3
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Article
PubMed
0.0700n/an/an/an/an/an/a7.0n/a



University of British Columbia



Assay Description
Fluorescene-based assay using beta-glucocerebrosidase.


Chembiochem 12: 2151-4 (2011)


Article DOI: 10.1002/cbic.201100332
BindingDB Entry DOI: 10.7270/Q2WD3Z3W
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM85134
PNG
(Isofagomine derivative, 7)
Show SMILES CCCCCCCCCC1NCC(O)C(O)C1CO
Show InChI InChI=1S/C15H31NO3/c1-2-3-4-5-6-7-8-9-13-12(11-17)15(19)14(18)10-16-13/h12-19H,2-11H2,1H3
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0.200n/an/an/an/an/an/a5.5n/a



University of British Columbia



Assay Description
Fluorescene-based assay using beta-glucocerebrosidase.


Chembiochem 12: 2151-4 (2011)


Article DOI: 10.1002/cbic.201100332
BindingDB Entry DOI: 10.7270/Q2WD3Z3W
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM85133
PNG
(Isofagomine derivative, 10)
Show SMILES OCCCC1NCC(O)C(O)C1CO
Show InChI InChI=1S/C9H19NO4/c11-3-1-2-7-6(5-12)9(14)8(13)4-10-7/h6-14H,1-5H2
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100n/an/an/an/an/an/a5.5n/a



University of British Columbia



Assay Description
Fluorescene-based assay using beta-glucocerebrosidase.


Chembiochem 12: 2151-4 (2011)


Article DOI: 10.1002/cbic.201100332
BindingDB Entry DOI: 10.7270/Q2WD3Z3W
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM85133
PNG
(Isofagomine derivative, 10)
Show SMILES OCCCC1NCC(O)C(O)C1CO
Show InChI InChI=1S/C9H19NO4/c11-3-1-2-7-6(5-12)9(14)8(13)4-10-7/h6-14H,1-5H2
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110n/an/an/an/an/an/a7.0n/a



University of British Columbia



Assay Description
Fluorescene-based assay using beta-glucocerebrosidase.


Chembiochem 12: 2151-4 (2011)


Article DOI: 10.1002/cbic.201100332
BindingDB Entry DOI: 10.7270/Q2WD3Z3W
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM85131
PNG
(Isofagomine derivative, 6)
Show SMILES CCCC1NCC(O)C(O)C1CO
Show InChI InChI=1S/C9H19NO3/c1-2-3-7-6(5-11)9(13)8(12)4-10-7/h6-13H,2-5H2,1H3
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210n/an/an/an/an/an/a7.0n/a



University of British Columbia



Assay Description
Fluorescene-based assay using beta-glucocerebrosidase.


Chembiochem 12: 2151-4 (2011)


Article DOI: 10.1002/cbic.201100332
BindingDB Entry DOI: 10.7270/Q2WD3Z3W
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM85132
PNG
(Isofagomine derivative, 8)
Show SMILES CCCC1(CCC)NCC(O)C(O)C1CO
Show InChI InChI=1S/C12H25NO3/c1-3-5-12(6-4-2)9(8-14)11(16)10(15)7-13-12/h9-11,13-16H,3-8H2,1-2H3
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600n/an/an/an/an/an/a5.5n/a



University of British Columbia



Assay Description
Fluorescene-based assay using beta-glucocerebrosidase.


Chembiochem 12: 2151-4 (2011)


Article DOI: 10.1002/cbic.201100332
BindingDB Entry DOI: 10.7270/Q2WD3Z3W
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM85131
PNG
(Isofagomine derivative, 6)
Show SMILES CCCC1NCC(O)C(O)C1CO
Show InChI InChI=1S/C9H19NO3/c1-2-3-7-6(5-11)9(13)8(12)4-10-7/h6-13H,2-5H2,1H3
PDB
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610n/an/an/an/an/an/a5.5n/a



University of British Columbia



Assay Description
Fluorescene-based assay using beta-glucocerebrosidase.


Chembiochem 12: 2151-4 (2011)


Article DOI: 10.1002/cbic.201100332
BindingDB Entry DOI: 10.7270/Q2WD3Z3W
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM85132
PNG
(Isofagomine derivative, 8)
Show SMILES CCCC1(CCC)NCC(O)C(O)C1CO
Show InChI InChI=1S/C12H25NO3/c1-3-5-12(6-4-2)9(8-14)11(16)10(15)7-13-12/h9-11,13-16H,3-8H2,1-2H3
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1.40E+3n/an/an/an/an/an/a7.0n/a



University of British Columbia



Assay Description
Fluorescene-based assay using beta-glucocerebrosidase.


Chembiochem 12: 2151-4 (2011)


Article DOI: 10.1002/cbic.201100332
BindingDB Entry DOI: 10.7270/Q2WD3Z3W
More data for this
Ligand-Target Pair
Probable alpha-glucosidase Os06g0675700


(Oryza sativa subsp. japonica)
BDBM50320826
PNG
(CHEMBL1163255 | beta-1-C-Butyl-1-deoxygalactonojir...)
Show SMILES CCCC[C@@H]1N[C@H](CO)[C@H](O)[C@H](O)[C@H]1C
Show InChI InChI=1S/C11H23NO3/c1-3-4-5-8-7(2)10(14)11(15)9(6-13)12-8/h7-15H,3-6H2,1-2H3/t7-,8-,9+,10+,11-/m0/s1
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PubMed
n/an/a 1.00E+4n/an/an/an/a5.0n/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rice alpha-glucosidase assessed as D-glucose release at pH 5 after 10 to 30 mins


Bioorg Med Chem 18: 3790-4 (2010)


Article DOI: 10.1016/j.bmc.2010.04.048
BindingDB Entry DOI: 10.7270/Q2XK8FQP
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50320826
PNG
(CHEMBL1163255 | beta-1-C-Butyl-1-deoxygalactonojir...)
Show SMILES CCCC[C@@H]1N[C@H](CO)[C@H](O)[C@H](O)[C@H]1C
Show InChI InChI=1S/C11H23NO3/c1-3-4-5-8-7(2)10(14)11(15)9(6-13)12-8/h7-15H,3-6H2,1-2H3/t7-,8-,9+,10+,11-/m0/s1
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Article
PubMed
n/an/a 1.52E+5n/an/an/an/a5.0n/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of Caldocellum saccharolyticum beta-glucosidase assessed as p-nitrophenol release at pH 5 by spectrometric analysis


Bioorg Med Chem 18: 3790-4 (2010)


Article DOI: 10.1016/j.bmc.2010.04.048
BindingDB Entry DOI: 10.7270/Q2XK8FQP
More data for this
Ligand-Target Pair
α-galactosidase


(Coffea arabica (Coffee beans))
BDBM50320826
PNG
(CHEMBL1163255 | beta-1-C-Butyl-1-deoxygalactonojir...)
Show SMILES CCCC[C@@H]1N[C@H](CO)[C@H](O)[C@H](O)[C@H]1C
Show InChI InChI=1S/C11H23NO3/c1-3-4-5-8-7(2)10(14)11(15)9(6-13)12-8/h7-15H,3-6H2,1-2H3/t7-,8-,9+,10+,11-/m0/s1
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Article
PubMed
n/an/a 1.20E+3n/an/an/an/a6.5n/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of coffee bean alpha-galactosidase assessed as p-nitrophenol release at pH 6.5 by spectrometric analysis


Bioorg Med Chem 18: 3790-4 (2010)


Article DOI: 10.1016/j.bmc.2010.04.048
BindingDB Entry DOI: 10.7270/Q2XK8FQP
More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM50320826
PNG
(CHEMBL1163255 | beta-1-C-Butyl-1-deoxygalactonojir...)
Show SMILES CCCC[C@@H]1N[C@H](CO)[C@H](O)[C@H](O)[C@H]1C
Show InChI InChI=1S/C11H23NO3/c1-3-4-5-8-7(2)10(14)11(15)9(6-13)12-8/h7-15H,3-6H2,1-2H3/t7-,8-,9+,10+,11-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human lysosome alpha-galactosidase assessed as p-nitrophenol release by spectrometric analysis


Bioorg Med Chem 18: 3790-4 (2010)


Article DOI: 10.1016/j.bmc.2010.04.048
BindingDB Entry DOI: 10.7270/Q2XK8FQP
More data for this
Ligand-Target Pair