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PubMed code 14505649

Compile data set for download or QSAR
Found 21 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))
BDBM50133507
PNG
(4-Decylamino-6-methyl-cyclohexane-1,2,3-triol | CH...)
Show SMILES CCCCCCCCCCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1S/C17H35NO3/c1-3-4-5-6-7-8-9-10-11-18-14-12-13(2)15(19)17(21)16(14)20/h13-21H,3-12H2,1-2H3
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9n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50133504
PNG
(4-Methyl-6-(4-phenyl-butylamino)-cyclohexane-1,2,3...)
Show SMILES CC1CC(NCCCCc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C17H27NO3/c1-12-11-14(16(20)17(21)15(12)19)18-10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,12,14-21H,5-6,9-11H2,1H3
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46n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50118923
PNG
((1S,2S,3R)-4-Methyl-6-octylamino-cyclohexane-1,2,3...)
Show SMILES CCCCCCCCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1S/C15H31NO3/c1-3-4-5-6-7-8-9-16-12-10-11(2)13(17)15(19)14(12)18/h11-19H,3-10H2,1-2H3
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110n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50133507
PNG
(4-Decylamino-6-methyl-cyclohexane-1,2,3-triol | CH...)
Show SMILES CCCCCCCCCCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1S/C17H35NO3/c1-3-4-5-6-7-8-9-10-11-18-14-12-13(2)15(19)17(21)16(14)20/h13-21H,3-12H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50118923
PNG
((1S,2S,3R)-4-Methyl-6-octylamino-cyclohexane-1,2,3...)
Show SMILES CCCCCCCCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1S/C15H31NO3/c1-3-4-5-6-7-8-9-16-12-10-11(2)13(17)15(19)14(12)18/h11-19H,3-10H2,1-2H3
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n/an/a 700n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50133508
PNG
((1R,3R,4S)-4-Decylamino-6-methyl-cyclohexane-1,2,3...)
Show SMILES CCCCCCCCCCN[C@H]1CC(C)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C17H35NO3/c1-3-4-5-6-7-8-9-10-11-18-14-12-13(2)15(19)17(21)16(14)20/h13-21H,3-12H2,1-2H3/t13?,14-,15+,16+,17?/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against alpha-Fucosidase in bovine kidney


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50133504
PNG
(4-Methyl-6-(4-phenyl-butylamino)-cyclohexane-1,2,3...)
Show SMILES CC1CC(NCCCCc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C17H27NO3/c1-12-11-14(16(20)17(21)15(12)19)18-10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,12,14-21H,5-6,9-11H2,1H3
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n/an/a 900n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50133508
PNG
((1R,3R,4S)-4-Decylamino-6-methyl-cyclohexane-1,2,3...)
Show SMILES CCCCCCCCCCN[C@H]1CC(C)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C17H35NO3/c1-3-4-5-6-7-8-9-10-11-18-14-12-13(2)15(19)17(21)16(14)20/h13-21H,3-12H2,1-2H3/t13?,14-,15+,16+,17?/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50133503
PNG
((1R,3R,6S)-4-Methyl-6-(4-phenyl-butylamino)-cycloh...)
Show SMILES CC1C[C@H](NCCCCc2ccccc2)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C17H27NO3/c1-12-11-14(16(20)17(21)15(12)19)18-10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,12,14-21H,5-6,9-11H2,1H3/t12?,14-,15+,16+,17?/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against alpha-Fucosidase in bovine kidney


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50133506
PNG
((1R,3R,4S)-4-Dodecylamino-6-methyl-cyclohexane-1,2...)
Show SMILES CCCCCCCCCCCCN[C@H]1CC(C)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C19H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-20-16-14-15(2)17(21)19(23)18(16)22/h15-23H,3-14H2,1-2H3/t15?,16-,17+,18+,19?/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against alpha-Fucosidase in bovine kidney


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50133505
PNG
((1R,3R,6S)-4-Methyl-6-octylamino-cyclohexane-1,2,3...)
Show SMILES CCCCCCCCN[C@H]1CC(C)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C15H31NO3/c1-3-4-5-6-7-8-9-16-12-10-11(2)13(17)15(19)14(12)18/h11-19H,3-10H2,1-2H3/t11?,12-,13+,14+,15?/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against alpha-Fucosidase in bovine kidney


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50133503
PNG
((1R,3R,6S)-4-Methyl-6-(4-phenyl-butylamino)-cycloh...)
Show SMILES CC1C[C@H](NCCCCc2ccccc2)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C17H27NO3/c1-12-11-14(16(20)17(21)15(12)19)18-10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,12,14-21H,5-6,9-11H2,1H3/t12?,14-,15+,16+,17?/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50133507
PNG
(4-Decylamino-6-methyl-cyclohexane-1,2,3-triol | CH...)
Show SMILES CCCCCCCCCCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1S/C17H35NO3/c1-3-4-5-6-7-8-9-10-11-18-14-12-13(2)15(19)17(21)16(14)20/h13-21H,3-12H2,1-2H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against alpha-Fucosidase in bovine kidney


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50133506
PNG
((1R,3R,4S)-4-Dodecylamino-6-methyl-cyclohexane-1,2...)
Show SMILES CCCCCCCCCCCCN[C@H]1CC(C)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C19H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-20-16-14-15(2)17(21)19(23)18(16)22/h15-23H,3-14H2,1-2H3/t15?,16-,17+,18+,19?/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50133501
PNG
(4-Hexylamino-6-methyl-cyclohexane-1,2,3-triol | CH...)
Show SMILES CCCCCCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1S/C13H27NO3/c1-3-4-5-6-7-14-10-8-9(2)11(15)13(17)12(10)16/h9-17H,3-8H2,1-2H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50133505
PNG
((1R,3R,6S)-4-Methyl-6-octylamino-cyclohexane-1,2,3...)
Show SMILES CCCCCCCCN[C@H]1CC(C)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C15H31NO3/c1-3-4-5-6-7-8-9-16-12-10-11(2)13(17)15(19)14(12)18/h11-19H,3-10H2,1-2H3/t11?,12-,13+,14+,15?/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50133504
PNG
(4-Methyl-6-(4-phenyl-butylamino)-cyclohexane-1,2,3...)
Show SMILES CC1CC(NCCCCc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C17H27NO3/c1-12-11-14(16(20)17(21)15(12)19)18-10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,12,14-21H,5-6,9-11H2,1H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against alpha-Fucosidase in bovine kidney


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50118923
PNG
((1S,2S,3R)-4-Methyl-6-octylamino-cyclohexane-1,2,3...)
Show SMILES CCCCCCCCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1S/C15H31NO3/c1-3-4-5-6-7-8-9-16-12-10-11(2)13(17)15(19)14(12)18/h11-19H,3-10H2,1-2H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against alpha-Fucosidase in bovine kidney


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50404054
PNG
(CHEMBL2114289)
Show SMILES C[C@@H]1CC(NCCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C15H23NO3/c1-10-9-12(14(18)15(19)13(10)17)16-8-7-11-5-3-2-4-6-11/h2-6,10,12-19H,7-9H2,1H3/t10-,12?,13-,14-,15+/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50404054
PNG
(CHEMBL2114289)
Show SMILES C[C@@H]1CC(NCCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C15H23NO3/c1-10-9-12(14(18)15(19)13(10)17)16-8-7-11-5-3-2-4-6-11/h2-6,10,12-19H,7-9H2,1H3/t10-,12?,13-,14-,15+/m1/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against alpha-Fucosidase in bovine kidney


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50133501
PNG
(4-Hexylamino-6-methyl-cyclohexane-1,2,3-triol | CH...)
Show SMILES CCCCCCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1S/C13H27NO3/c1-3-4-5-6-7-14-10-8-9(2)11(15)13(17)12(10)16/h9-17H,3-8H2,1-2H3
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n/an/a 8.20E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against alpha-Fucosidase in bovine kidney


Bioorg Med Chem Lett 13: 3461-3 (2003)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%