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Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'takeuchi' and Initial = 'g'   
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
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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16n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Binding affinity against alpha-L-fucosidase in bovine kidney was determined


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50065258
PNG
((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1
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31n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Binding affinity against alpha-L-fucosidase in bovine kidney was determined


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50118928
PNG
((1S,2S,3R)-4-Methyl-6-phenethylamino-cyclohexane-1...)
Show SMILES CC1CC(NCCc2ccccc2)C(O)C(O)C1O
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
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32n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Binding affinity against alpha-L-fucosidase in bovine kidney was determined


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50118921
PNG
((1R,2S,3S)-4-Heptylamino-6-methyl-cyclohexane-1,2,...)
Show SMILES CCCCCCCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1S/C14H29NO3/c1-3-4-5-6-7-8-15-11-9-10(2)12(16)14(18)13(11)17/h10-18H,3-9H2,1-2H3
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48n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Binding affinity against alpha-L-fucosidase in bovine kidney was determined


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50118920
PNG
((1R,2S,3S)-4-Benzylamino-6-methyl-cyclohexane-1,2,...)
Show SMILES CC1CC(NCc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C14H21NO3/c1-9-7-11(13(17)14(18)12(9)16)15-8-10-5-3-2-4-6-10/h2-6,9,11-18H,7-8H2,1H3
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69n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Binding affinity against alpha-L-fucosidase in bovine kidney was determined


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50118922
PNG
((1R,2S,3S)-4-Butylamino-6-methyl-cyclohexane-1,2,3...)
Show SMILES CCCCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1S/C11H23NO3/c1-3-4-5-12-8-6-7(2)9(13)11(15)10(8)14/h7-15H,3-6H2,1-2H3
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74n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Binding affinity against alpha-L-fucosidase in bovine kidney was determined


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50118919
PNG
((1S,2S,3R)-4-Methyl-6-nonylamino-cyclohexane-1,2,3...)
Show SMILES CCCCCCCCCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1S/C16H33NO3/c1-3-4-5-6-7-8-9-10-17-13-11-12(2)14(18)16(20)15(13)19/h12-20H,3-11H2,1-2H3
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110n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Binding affinity against alpha-L-fucosidase in bovine kidney was determined


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50118926
PNG
((1R,2S,3S)-4-Ethylamino-6-methyl-cyclohexane-1,2,3...)
Show SMILES CCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1S/C9H19NO3/c1-3-10-6-4-5(2)7(11)9(13)8(6)12/h5-13H,3-4H2,1-2H3
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180n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Binding affinity against alpha-L-fucosidase in bovine kidney was determined


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50403994
PNG
(CHEMBL2114287)
Show SMILES C[C@@H]1C[C@@H](N)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C7H15NO3/c1-3-2-4(8)6(10)7(11)5(3)9/h3-7,9-11H,2,8H2,1H3/t3-,4-,5-,6-,7-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Binding affinity against alpha-L-fucosidase in bovine kidney was determined


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50403995
PNG
(CHEMBL2115269)
Show SMILES C[C@@H]1C[C@H](N)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C7H15NO3/c1-3-2-4(8)6(10)7(11)5(3)9/h3-7,9-11H,2,8H2,1H3/t3-,4+,5-,6-,7-/m1/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Binding affinity against alpha-L-fucosidase in bovine kidney was determined


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
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 110n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha-L-fucosidase


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50118928
PNG
((1S,2S,3R)-4-Methyl-6-phenethylamino-cyclohexane-1...)
Show SMILES CC1CC(NCCc2ccccc2)C(O)C(O)C1O
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
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n/an/a 240n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha-L-fucosidase


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50118919
PNG
((1S,2S,3R)-4-Methyl-6-nonylamino-cyclohexane-1,2,3...)
Show SMILES CCCCCCCCCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1S/C16H33NO3/c1-3-4-5-6-7-8-9-10-17-13-11-12(2)14(18)16(20)15(13)19/h12-20H,3-11H2,1-2H3
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n/an/a 240n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha-L-fucosidase


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50118921
PNG
((1R,2S,3S)-4-Heptylamino-6-methyl-cyclohexane-1,2,...)
Show SMILES CCCCCCCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1S/C14H29NO3/c1-3-4-5-6-7-8-15-11-9-10(2)12(16)14(18)13(11)17/h10-18H,3-9H2,1-2H3
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n/an/a 270n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha-L-fucosidase


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50065258
PNG
((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1
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n/an/a 410n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha-L-fucosidase


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50118922
PNG
((1R,2S,3S)-4-Butylamino-6-methyl-cyclohexane-1,2,3...)
Show SMILES CCCCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1S/C11H23NO3/c1-3-4-5-12-8-6-7(2)9(13)11(15)10(8)14/h7-15H,3-6H2,1-2H3
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n/an/a 920n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha-L-fucosidase


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50118920
PNG
((1R,2S,3S)-4-Benzylamino-6-methyl-cyclohexane-1,2,...)
Show SMILES CC1CC(NCc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C14H21NO3/c1-9-7-11(13(17)14(18)12(9)16)15-8-10-5-3-2-4-6-10/h2-6,9,11-18H,7-8H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha-L-fucosidase


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50118927
PNG
((6R,7S,7aS)-5-Methyl-2-phenylamino-3a,4,5,6,7,7a-h...)
Show SMILES CC1CC2N=C(Nc3ccccc3)OC2C(O)C1O |t:4|
Show InChI InChI=1S/C14H18N2O3/c1-8-7-10-13(12(18)11(8)17)19-14(16-10)15-9-5-3-2-4-6-9/h2-6,8,10-13,17-18H,7H2,1H3,(H,15,16)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha-L-fucosidase


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50403994
PNG
(CHEMBL2114287)
Show SMILES C[C@@H]1C[C@@H](N)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C7H15NO3/c1-3-2-4(8)6(10)7(11)5(3)9/h3-7,9-11H,2,8H2,1H3/t3-,4-,5-,6-,7-/m1/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha-L-fucosidase


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50118926
PNG
((1R,2S,3S)-4-Ethylamino-6-methyl-cyclohexane-1,2,3...)
Show SMILES CCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1S/C9H19NO3/c1-3-10-6-4-5(2)7(11)9(13)8(6)12/h5-13H,3-4H2,1-2H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha-L-fucosidase


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50403995
PNG
(CHEMBL2115269)
Show SMILES C[C@@H]1C[C@H](N)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C7H15NO3/c1-3-2-4(8)6(10)7(11)5(3)9/h3-7,9-11H,2,8H2,1H3/t3-,4+,5-,6-,7-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha-L-fucosidase


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
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 3.70E+4n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-galactosidase in bovine liver was determined


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50118924
PNG
((6R,7S,7aS)-2-Benzylamino-5-methyl-3a,4,5,6,7,7a-h...)
Show SMILES CC1CC2N=C(NCc3ccccc3)OC2C(O)C1O |t:4|
Show InChI InChI=1S/C15H20N2O3/c1-9-7-11-14(13(19)12(9)18)20-15(17-11)16-8-10-5-3-2-4-6-10/h2-6,9,11-14,18-19H,7-8H2,1H3,(H,16,17)
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n/an/a 7.20E+4n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha-L-fucosidase


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50118929
PNG
((6R,7S,7aS)-2-Butylamino-5-methyl-3a,4,5,6,7,7a-he...)
Show SMILES CCCCNC1=NC2CC(C)C(O)C(O)C2O1 |t:5|
Show InChI InChI=1S/C12H22N2O3/c1-3-4-5-13-12-14-8-6-7(2)9(15)10(16)11(8)17-12/h7-11,15-16H,3-6H2,1-2H3,(H,13,14)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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UniChem

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PubMed
n/an/a 1.40E+5n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha-L-fucosidase


Bioorg Med Chem Lett 12: 2811-4 (2002)


BindingDB Entry DOI: 10.7270/Q2C24WZJ
More data for this
Ligand-Target Pair