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Compile Data Set for Download or QSAR

Found 14 hits of ph data with Target = 'Alpha-glucosidase A (α-Gal A)'   
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-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM113756
PNG
(DGJ-NphT)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1C(=S)Nc1cccc2ccccc12
Show InChI InChI=1S/C17H20N2O4S/c20-9-13-15(22)16(23)14(21)8-19(13)17(24)18-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-16,20-23H,8-9H2,(H,18,24)/t13-,14+,15+,16-/m1/s1
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n/an/a 1.60E+3n/an/an/an/a5.0n/a



Tottori University , Yonago 683-8503, Japan



Assay Description
For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...


ACS Chem Biol 9: 1460-9 (2014)


Article DOI: 10.1021/cb500143h
BindingDB Entry DOI: 10.7270/Q2XS5T16
More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM113757
PNG
(DGJ-pMe OPhT)
Show SMILES COc1ccc(NC(=S)N2C[C@H](O)[C@@H](O)[C@@H](O)[C@H]2CO)cc1
Show InChI InChI=1S/C14H20N2O5S/c1-21-9-4-2-8(3-5-9)15-14(22)16-6-11(18)13(20)12(19)10(16)7-17/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,22)/t10-,11+,12+,13-/m1/s1
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n/an/a 74n/an/an/an/a5.0n/a



Tottori University , Yonago 683-8503, Japan



Assay Description
For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...


ACS Chem Biol 9: 1460-9 (2014)


Article DOI: 10.1021/cb500143h
BindingDB Entry DOI: 10.7270/Q2XS5T16
More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM113758
PNG
(DGJ-pMe SPhT)
Show SMILES CSc1ccc(NC(=S)N2C[C@H](O)[C@@H](O)[C@@H](O)[C@H]2CO)cc1
Show InChI InChI=1S/C14H20N2O4S2/c1-22-9-4-2-8(3-5-9)15-14(21)16-6-11(18)13(20)12(19)10(16)7-17/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,21)/t10-,11+,12+,13-/m1/s1
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n/an/a 8.30n/an/an/an/a5.0n/a



Tottori University , Yonago 683-8503, Japan



Assay Description
For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...


ACS Chem Biol 9: 1460-9 (2014)


Article DOI: 10.1021/cb500143h
BindingDB Entry DOI: 10.7270/Q2XS5T16
More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM113759
PNG
(DGJ-pF PhT)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1C(=S)Nc1ccc(F)cc1
Show InChI InChI=1S/C13H17FN2O4S/c14-7-1-3-8(4-2-7)15-13(21)16-5-10(18)12(20)11(19)9(16)6-17/h1-4,9-12,17-20H,5-6H2,(H,15,21)/t9-,10+,11+,12-/m1/s1
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n/an/a 340n/an/an/an/a5.0n/a



Tottori University , Yonago 683-8503, Japan



Assay Description
For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...


ACS Chem Biol 9: 1460-9 (2014)


Article DOI: 10.1021/cb500143h
BindingDB Entry DOI: 10.7270/Q2XS5T16
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM113760
PNG
(pF PhIM-DGJ)
Show SMILES O[C@H]1CN2C(CS\C2=N\c2ccc(F)cc2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C13H15FN2O3S/c14-7-1-3-8(4-2-7)15-13-16-5-10(17)12(19)11(18)9(16)6-20-13/h1-4,9-12,17-19H,5-6H2/b15-13+/t9?,10-,11-,12+/m0/s1
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n/an/a 9.67E+3n/an/an/an/a5.0n/a



Tottori University , Yonago 683-8503, Japan



Assay Description
For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...


ACS Chem Biol 9: 1460-9 (2014)


Article DOI: 10.1021/cb500143h
BindingDB Entry DOI: 10.7270/Q2XS5T16
More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM113761
PNG
(DGJ-BnT)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1C(=S)NCc1ccccc1
Show InChI InChI=1S/C14H20N2O4S/c17-8-10-12(19)13(20)11(18)7-16(10)14(21)15-6-9-4-2-1-3-5-9/h1-5,10-13,17-20H,6-8H2,(H,15,21)/t10-,11+,12+,13-/m1/s1
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n/an/a 2.03E+4n/an/an/an/a5.0n/a



Tottori University , Yonago 683-8503, Japan



Assay Description
For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...


ACS Chem Biol 9: 1460-9 (2014)


Article DOI: 10.1021/cb500143h
BindingDB Entry DOI: 10.7270/Q2XS5T16
More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM113762
PNG
(1-Deoxygalactonojirimycin (DGJ) | 2-(hydroxymethyl...)
Show SMILES OCC1NCC(O)C(O)C1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2
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n/an/a 3n/an/an/an/a5.0n/a



Tottori University , Yonago 683-8503, Japan



Assay Description
For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...


ACS Chem Biol 9: 1460-9 (2014)


Article DOI: 10.1021/cb500143h
BindingDB Entry DOI: 10.7270/Q2XS5T16
More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM113756
PNG
(DGJ-NphT)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1C(=S)Nc1cccc2ccccc12
Show InChI InChI=1S/C17H20N2O4S/c20-9-13-15(22)16(23)14(21)8-19(13)17(24)18-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-16,20-23H,8-9H2,(H,18,24)/t13-,14+,15+,16-/m1/s1
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n/an/a 370n/an/an/an/a7.0n/a



Tottori University , Yonago 683-8503, Japan



Assay Description
For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...


ACS Chem Biol 9: 1460-9 (2014)


Article DOI: 10.1021/cb500143h
BindingDB Entry DOI: 10.7270/Q2XS5T16
More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM113757
PNG
(DGJ-pMe OPhT)
Show SMILES COc1ccc(NC(=S)N2C[C@H](O)[C@@H](O)[C@@H](O)[C@H]2CO)cc1
Show InChI InChI=1S/C14H20N2O5S/c1-21-9-4-2-8(3-5-9)15-14(22)16-6-11(18)13(20)12(19)10(16)7-17/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,22)/t10-,11+,12+,13-/m1/s1
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n/an/a 16n/an/an/an/a7.0n/a



Tottori University , Yonago 683-8503, Japan



Assay Description
For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...


ACS Chem Biol 9: 1460-9 (2014)


Article DOI: 10.1021/cb500143h
BindingDB Entry DOI: 10.7270/Q2XS5T16
More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM113758
PNG
(DGJ-pMe SPhT)
Show SMILES CSc1ccc(NC(=S)N2C[C@H](O)[C@@H](O)[C@@H](O)[C@H]2CO)cc1
Show InChI InChI=1S/C14H20N2O4S2/c1-22-9-4-2-8(3-5-9)15-14(21)16-6-11(18)13(20)12(19)10(16)7-17/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,21)/t10-,11+,12+,13-/m1/s1
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n/an/a 1.40n/an/an/an/a7.0n/a



Tottori University , Yonago 683-8503, Japan



Assay Description
For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...


ACS Chem Biol 9: 1460-9 (2014)


Article DOI: 10.1021/cb500143h
BindingDB Entry DOI: 10.7270/Q2XS5T16
More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM113759
PNG
(DGJ-pF PhT)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1C(=S)Nc1ccc(F)cc1
Show InChI InChI=1S/C13H17FN2O4S/c14-7-1-3-8(4-2-7)15-13(21)16-5-10(18)12(20)11(19)9(16)6-17/h1-4,9-12,17-20H,5-6H2,(H,15,21)/t9-,10+,11+,12-/m1/s1
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n/an/a 43n/an/an/an/a7.0n/a



Tottori University , Yonago 683-8503, Japan



Assay Description
For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...


ACS Chem Biol 9: 1460-9 (2014)


Article DOI: 10.1021/cb500143h
BindingDB Entry DOI: 10.7270/Q2XS5T16
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM113760
PNG
(pF PhIM-DGJ)
Show SMILES O[C@H]1CN2C(CS\C2=N\c2ccc(F)cc2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C13H15FN2O3S/c14-7-1-3-8(4-2-7)15-13-16-5-10(17)12(19)11(18)9(16)6-20-13/h1-4,9-12,17-19H,5-6H2/b15-13+/t9?,10-,11-,12+/m0/s1
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n/an/a 2.18E+3n/an/an/an/a7.0n/a



Tottori University , Yonago 683-8503, Japan



Assay Description
For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...


ACS Chem Biol 9: 1460-9 (2014)


Article DOI: 10.1021/cb500143h
BindingDB Entry DOI: 10.7270/Q2XS5T16
More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM113761
PNG
(DGJ-BnT)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1C(=S)NCc1ccccc1
Show InChI InChI=1S/C14H20N2O4S/c17-8-10-12(19)13(20)11(18)7-16(10)14(21)15-6-9-4-2-1-3-5-9/h1-5,10-13,17-20H,6-8H2,(H,15,21)/t10-,11+,12+,13-/m1/s1
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n/an/a 4.41E+3n/an/an/an/a7.0n/a



Tottori University , Yonago 683-8503, Japan



Assay Description
For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...


ACS Chem Biol 9: 1460-9 (2014)


Article DOI: 10.1021/cb500143h
BindingDB Entry DOI: 10.7270/Q2XS5T16
More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM113762
PNG
(1-Deoxygalactonojirimycin (DGJ) | 2-(hydroxymethyl...)
Show SMILES OCC1NCC(O)C(O)C1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2
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n/an/a 0.780n/an/an/an/a7.0n/a



Tottori University , Yonago 683-8503, Japan



Assay Description
For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...


ACS Chem Biol 9: 1460-9 (2014)


Article DOI: 10.1021/cb500143h
BindingDB Entry DOI: 10.7270/Q2XS5T16
More data for this
Ligand-Target Pair