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PubMed code 15165148

Compile data set for download or QSAR
Found 13 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
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50242067
PNG
(CHEMBL469435 | alpha-1-C-(1,10,13-Trihydroxytridec...)
Show SMILES OCC(O)CCCCC(O)CC(O)CCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C18H37NO8/c20-9-13(24)5-2-1-4-11(22)8-12(23)6-3-7-15(25)16-18(27)17(26)14(10-21)19-16/h11-27H,1-10H2/t11?,12?,13?,14-,15-,16-,17-,18-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase by spectrophotometry

J Nat Prod 67: 846-50 (2004)


Article DOI: 10.1021/np0499721
BindingDB Entry DOI: 10.7270/Q2Q52PD8
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50242071
PNG
(2,5-Dideoxy-2,5-imino-D-glycero-D-manno-heptitol |...)
Show SMILES OCC(O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C7H15NO5/c9-1-3-6(12)7(13)5(8-3)4(11)2-10/h3-13H,1-2H2/t3-,4?,5-,6-,7-/m1/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase by spectrophotometry

J Nat Prod 67: 846-50 (2004)


Article DOI: 10.1021/np0499721
BindingDB Entry DOI: 10.7270/Q2Q52PD8
More data for this
Ligand-Target Pair
Beta-mannosidase


(Rattus norvegicus)		BDBM50242067
PNG
(CHEMBL469435 | alpha-1-C-(1,10,13-Trihydroxytridec...)
Show SMILES OCC(O)CCCCC(O)CC(O)CCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C18H37NO8/c20-9-13(24)5-2-1-4-11(22)8-12(23)6-3-7-15(25)16-18(27)17(26)14(10-21)19-16/h11-27H,1-10H2/t11?,12?,13?,14-,15-,16-,17-,18-/m1/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat epididymis beta-mannosidase by spectrophotometry

J Nat Prod 67: 846-50 (2004)


Article DOI: 10.1021/np0499721
BindingDB Entry DOI: 10.7270/Q2Q52PD8
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50242066
PNG
(CHEMBL511823 | alpha-1-C-(1,2-Dihdroxypropyl)-1,4-...)
Show SMILES CC(O)[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C8H17NO5/c1-3(11)6(12)5-8(14)7(13)4(2-10)9-5/h3-14H,2H2,1H3/t3?,4-,5-,6-,7-,8-/m1/s1
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n/an/a 1.30E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase by spectrophotometry

J Nat Prod 67: 846-50 (2004)


Article DOI: 10.1021/np0499721
BindingDB Entry DOI: 10.7270/Q2Q52PD8
More data for this
Ligand-Target Pair
Beta-mannosidase


(Rattus norvegicus)		BDBM50242066
PNG
(CHEMBL511823 | alpha-1-C-(1,2-Dihdroxypropyl)-1,4-...)
Show SMILES CC(O)[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C8H17NO5/c1-3(11)6(12)5-8(14)7(13)4(2-10)9-5/h3-14H,2H2,1H3/t3?,4-,5-,6-,7-,8-/m1/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat epididymis beta-mannosidase by spectrophotometry

J Nat Prod 67: 846-50 (2004)


Article DOI: 10.1021/np0499721
BindingDB Entry DOI: 10.7270/Q2Q52PD8
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50242065
PNG
(CHEMBL449851 | alpha-1-C-(2-Hydroxypropyl)-1,4-did...)
Show SMILES CC(O)C[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C8H17NO4/c1-4(11)2-5-7(12)8(13)6(3-10)9-5/h4-13H,2-3H2,1H3/t4?,5-,6-,7-,8-/m1/s1
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n/an/a 2.60E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase by spectrophotometry

J Nat Prod 67: 846-50 (2004)


Article DOI: 10.1021/np0499721
BindingDB Entry DOI: 10.7270/Q2Q52PD8
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50242068
PNG
(CHEMBL512479 | alpha-5-C-(3-Hydroxybutyl)-7-epi-au...)
Show SMILES CC(O)CC[C@@H]1C[C@@H](O)[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)N12 |r|
Show InChI InChI=1S/C12H23NO5/c1-6(15)2-3-7-4-9(16)10-12(18)11(17)8(5-14)13(7)10/h6-12,14-18H,2-5H2,1H3/t6?,7-,8-,9-,10-,11-,12-/m1/s1
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n/an/a 3.20E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase by spectrophotometry

J Nat Prod 67: 846-50 (2004)


Article DOI: 10.1021/np0499721
BindingDB Entry DOI: 10.7270/Q2Q52PD8
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)		BDBM50242069
PNG
(CHEMBL498968 | alpha-5-C-(1,3-Dihydroxybutyl)hyaci...)
Show SMILES CC(O)CC(O)[C@@H]1CC[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12 |r|
Show InChI InChI=1S/C12H23NO5/c1-6(15)4-10(16)7-2-3-8-11(17)12(18)9(5-14)13(7)8/h6-12,14-18H,2-5H2,1H3/t6?,7-,8+,9+,10?,11-,12+/m0/s1
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n/an/a 3.50E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase by spectrophotometry

J Nat Prod 67: 846-50 (2004)


Article DOI: 10.1021/np0499721
BindingDB Entry DOI: 10.7270/Q2Q52PD8
More data for this
Ligand-Target Pair
Beta-mannosidase


(Rattus norvegicus)		BDBM50242065
PNG
(CHEMBL449851 | alpha-1-C-(2-Hydroxypropyl)-1,4-did...)
Show SMILES CC(O)C[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C8H17NO4/c1-4(11)2-5-7(12)8(13)6(3-10)9-5/h4-13H,2-3H2,1H3/t4?,5-,6-,7-,8-/m1/s1
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n/an/a 6.10E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat epididymis beta-mannosidase by spectrophotometry

J Nat Prod 67: 846-50 (2004)


Article DOI: 10.1021/np0499721
BindingDB Entry DOI: 10.7270/Q2Q52PD8
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)		BDBM50242067
PNG
(CHEMBL469435 | alpha-1-C-(1,10,13-Trihydroxytridec...)
Show SMILES OCC(O)CCCCC(O)CC(O)CCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C18H37NO8/c20-9-13(24)5-2-1-4-11(22)8-12(23)6-3-7-15(25)16-18(27)17(26)14(10-21)19-16/h11-27H,1-10H2/t11?,12?,13?,14-,15-,16-,17-,18-/m1/s1
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n/an/a 7.40E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase by spectrophotometry

J Nat Prod 67: 846-50 (2004)


Article DOI: 10.1021/np0499721
BindingDB Entry DOI: 10.7270/Q2Q52PD8
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50242069
PNG
(CHEMBL498968 | alpha-5-C-(1,3-Dihydroxybutyl)hyaci...)
Show SMILES CC(O)CC(O)[C@@H]1CC[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12 |r|
Show InChI InChI=1S/C12H23NO5/c1-6(15)4-10(16)7-2-3-8-11(17)12(18)9(5-14)13(7)8/h6-12,14-18H,2-5H2,1H3/t6?,7-,8+,9+,10?,11-,12+/m0/s1
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n/an/a 8.30E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase by spectrophotometry

J Nat Prod 67: 846-50 (2004)


Article DOI: 10.1021/np0499721
BindingDB Entry DOI: 10.7270/Q2Q52PD8
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50242070
PNG
(CHEMBL469437 | alpha-5-C-(1,3,4-Trihydroxybutyl)hy...)
Show SMILES OCC(O)CC(O)[C@@H]1CC[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12 |r|
Show InChI InChI=1S/C12H23NO6/c14-4-6(16)3-10(17)7-1-2-8-11(18)12(19)9(5-15)13(7)8/h6-12,14-19H,1-5H2/t6?,7-,8+,9+,10?,11-,12+/m0/s1
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n/an/a 9.20E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase by spectrophotometry

J Nat Prod 67: 846-50 (2004)


Article DOI: 10.1021/np0499721
BindingDB Entry DOI: 10.7270/Q2Q52PD8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))		BDBM50242067
PNG
(CHEMBL469435 | alpha-1-C-(1,10,13-Trihydroxytridec...)
Show SMILES OCC(O)CCCCC(O)CC(O)CCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C18H37NO8/c20-9-13(24)5-2-1-4-11(22)8-12(23)6-3-7-15(25)16-18(27)17(26)14(10-21)19-16/h11-27H,1-10H2/t11?,12?,13?,14-,15-,16-,17-,18-/m1/s1
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n/an/a 9.70E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of human placental beta-glucocerebrosidase by spectrophotometry

J Nat Prod 67: 846-50 (2004)


Article DOI: 10.1021/np0499721
BindingDB Entry DOI: 10.7270/Q2Q52PD8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%