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PubMed code 26361824

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
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
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50375511
PNG
(CHEMBL406973)
Show SMILES OC[C@@H]1NC[C@H](O)[C@H]1O
Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m0/s1
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PubMed
2.00E+3n/an/an/an/an/an/an/an/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of green coffee bean alpha-galactosidase using o-nitrophenyl alpha-D-galactopyranoside after 10 to 30 mins by spectrophotometric method


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli (Enterobacteria))
BDBM50375511
PNG
(CHEMBL406973)
Show SMILES OC[C@@H]1NC[C@H](O)[C@H]1O
Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m0/s1
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4.30E+3n/an/an/an/an/an/an/an/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-galactosidase using o-nitrophenyl beta-D-galactopyranoside after 10 to 30 mins by spectrophotometric method


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50197871
PNG
(CHEMBL3979715)
Show SMILES [H][C@@]12CS\C(=N\CCCCCCCCCCCCCCCCO)N1C[C@H](O)[C@H]2O |r|
Show InChI InChI=1S/C22H42N2O3S/c25-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-23-22-24-17-20(26)21(27)19(24)18-28-22/h19-21,25-27H,1-18H2/b23-22+/t19-,20-,21-/m0/s1
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n/an/a 4.10E+3n/an/an/an/a7.0n/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 7 by fluorescence assay


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50197873
PNG
(CHEMBL3974420)
Show SMILES [H][C@]12CS\C(=N\CCCCCCCCCCCCCCCCO)N1C[C@@H](O)[C@H]2O |r|
Show InChI InChI=1S/C22H42N2O3S/c25-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-23-22-24-17-20(26)21(27)19(24)18-28-22/h19-21,25-27H,1-18H2/b23-22+/t19-,20-,21+/m1/s1
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n/an/a 4.90E+3n/an/an/an/a7.0n/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 7 by fluorescence assay


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50197869
PNG
(CHEMBL3909220)
Show SMILES [H][C@]12CS\C(=N\CCCCCCCCCCCCCCCCO)N1CC[C@@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C23H44N2O3S/c26-18-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-24-23-25-17-15-21(27)22(28)20(25)19-29-23/h20-22,26-28H,1-19H2/b24-23+/t20-,21-,22-/m1/s1
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n/an/a 6.80E+3n/an/an/an/a7.0n/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 7 by fluorescence assay


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50197867
PNG
(CHEMBL3980439)
Show SMILES [H][C@]12CS\C(=N\CCCCCCCC)N1C[C@@H](O)[C@H]2O |r|
Show InChI InChI=1S/C14H26N2O2S/c1-2-3-4-5-6-7-8-15-14-16-9-12(17)13(18)11(16)10-19-14/h11-13,17-18H,2-10H2,1H3/b15-14+/t11-,12-,13+/m1/s1
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n/an/a 7.30E+3n/an/an/an/a7.0n/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 7 by fluorescence assay


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50197870
PNG
(CHEMBL3950752)
Show SMILES [H][C@@]12CS\C(=N\CCCCCCCC)N1C[C@H](O)[C@H]2O |r|
Show InChI InChI=1S/C14H26N2O2S/c1-2-3-4-5-6-7-8-15-14-16-9-12(17)13(18)11(16)10-19-14/h11-13,17-18H,2-10H2,1H3/b15-14+/t11-,12-,13-/m0/s1
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n/an/a 8.60E+3n/an/an/an/a7.0n/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 7 by fluorescence assay


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50197866
PNG
(CHEMBL3937138)
Show SMILES [H][C@]12CS\C(=N\CCCCCCCC)N1CC[C@@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C15H28N2O2S/c1-2-3-4-5-6-7-9-16-15-17-10-8-13(18)14(19)12(17)11-20-15/h12-14,18-19H,2-11H2,1H3/b16-15+/t12-,13-,14-/m1/s1
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n/an/a 1.24E+4n/an/an/an/a7.0n/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 7 by fluorescence assay


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50197871
PNG
(CHEMBL3979715)
Show SMILES [H][C@@]12CS\C(=N\CCCCCCCCCCCCCCCCO)N1C[C@H](O)[C@H]2O |r|
Show InChI InChI=1S/C22H42N2O3S/c25-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-23-22-24-17-20(26)21(27)19(24)18-28-22/h19-21,25-27H,1-18H2/b23-22+/t19-,20-,21-/m0/s1
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n/an/a 4.00E+4n/an/an/an/a5.0n/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 5 by fluorescence assay


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50197873
PNG
(CHEMBL3974420)
Show SMILES [H][C@]12CS\C(=N\CCCCCCCCCCCCCCCCO)N1C[C@@H](O)[C@H]2O |r|
Show InChI InChI=1S/C22H42N2O3S/c25-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-23-22-24-17-20(26)21(27)19(24)18-28-22/h19-21,25-27H,1-18H2/b23-22+/t19-,20-,21+/m1/s1
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n/an/a 5.50E+4n/an/an/an/a5.0n/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 5 by fluorescence assay


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50197869
PNG
(CHEMBL3909220)
Show SMILES [H][C@]12CS\C(=N\CCCCCCCCCCCCCCCCO)N1CC[C@@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C23H44N2O3S/c26-18-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-24-23-25-17-15-21(27)22(28)20(25)19-29-23/h20-22,26-28H,1-19H2/b24-23+/t20-,21-,22-/m1/s1
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n/an/a 5.60E+4n/an/an/an/a5.0n/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 5 by fluorescence assay


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50197867
PNG
(CHEMBL3980439)
Show SMILES [H][C@]12CS\C(=N\CCCCCCCC)N1C[C@@H](O)[C@H]2O |r|
Show InChI InChI=1S/C14H26N2O2S/c1-2-3-4-5-6-7-8-15-14-16-9-12(17)13(18)11(16)10-19-14/h11-13,17-18H,2-10H2,1H3/b15-14+/t11-,12-,13+/m1/s1
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n/an/a 7.60E+4n/an/an/an/a5.0n/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 5 by fluorescence assay


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50197870
PNG
(CHEMBL3950752)
Show SMILES [H][C@@]12CS\C(=N\CCCCCCCC)N1C[C@H](O)[C@H]2O |r|
Show InChI InChI=1S/C14H26N2O2S/c1-2-3-4-5-6-7-8-15-14-16-9-12(17)13(18)11(16)10-19-14/h11-13,17-18H,2-10H2,1H3/b15-14+/t11-,12-,13-/m0/s1
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n/an/a 9.20E+4n/an/an/an/a5.0n/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 5 by fluorescence assay


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50197866
PNG
(CHEMBL3937138)
Show SMILES [H][C@]12CS\C(=N\CCCCCCCC)N1CC[C@@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C15H28N2O2S/c1-2-3-4-5-6-7-9-16-15-17-10-8-13(18)14(19)12(17)11-20-15/h12-14,18-19H,2-11H2,1H3/b16-15+/t12-,13-,14-/m1/s1
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n/an/a 1.15E+5n/an/an/an/a5.0n/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 5 by fluorescence assay


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50197874
PNG
(CHEMBL3933048)
Show SMILES CCCCCCCCNC(=S)N1C[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C14H28N2O3S/c1-2-3-4-5-6-7-8-15-14(20)16-9-12(18)13(19)11(16)10-17/h11-13,17-19H,2-10H2,1H3,(H,15,20)/t11-,12-,13-/m0/s1
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n/an/a 1.21E+5n/an/an/an/a7.0n/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 7 by fluorescence assay


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50197874
PNG
(CHEMBL3933048)
Show SMILES CCCCCCCCNC(=S)N1C[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C14H28N2O3S/c1-2-3-4-5-6-7-8-15-14(20)16-9-12(18)13(19)11(16)10-17/h11-13,17-19H,2-10H2,1H3,(H,15,20)/t11-,12-,13-/m0/s1
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n/an/a 6.45E+5n/an/an/an/a5.0n/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 5 by fluorescence assay


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50197872
PNG
(CHEMBL3953477)
Show SMILES CCCCCCCCNC(=S)N1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C14H28N2O3S/c1-2-3-4-5-6-7-8-15-14(20)16-9-12(18)13(19)11(16)10-17/h11-13,17-19H,2-10H2,1H3,(H,15,20)/t11-,12-,13-/m1/s1
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n/an/a 7.88E+5n/an/an/an/a7.0n/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 7 by fluorescence assay


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50197868
PNG
(CHEMBL3931823)
Show SMILES CCCCCCCCNC(=S)N1CC[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C15H30N2O3S/c1-2-3-4-5-6-7-9-16-15(21)17-10-8-13(19)14(20)12(17)11-18/h12-14,18-20H,2-11H2,1H3,(H,16,21)/t12-,13-,14-/m1/s1
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n/an/a>1.00E+6n/an/an/an/a5.0n/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 5 by fluorescence assay


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50197872
PNG
(CHEMBL3953477)
Show SMILES CCCCCCCCNC(=S)N1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C14H28N2O3S/c1-2-3-4-5-6-7-8-15-14(20)16-9-12(18)13(19)11(16)10-17/h11-13,17-19H,2-10H2,1H3,(H,15,20)/t11-,12-,13-/m1/s1
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n/an/a>1.00E+6n/an/an/an/a5.0n/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 5 by fluorescence assay


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50197868
PNG
(CHEMBL3931823)
Show SMILES CCCCCCCCNC(=S)N1CC[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C15H30N2O3S/c1-2-3-4-5-6-7-9-16-15(21)17-10-8-13(19)14(20)12(17)11-18/h12-14,18-20H,2-11H2,1H3,(H,16,21)/t12-,13-,14-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+6n/an/an/an/a7.0n/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 7 by fluorescence assay


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%