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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50034703   
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-L-fucosidase I


(Homo sapiens)
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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29n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50403111
PNG
(CHEMBL1289015)
Show SMILES C[C@@H]1N[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(2-8)7-3/h3-10H,2H2,1H3/t3-,4-,5+,6-/m0/s1
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4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50285247
PNG
((2R,3R,4R,5R)-2-Methyl-piperidine-3,4,5-triol | CH...)
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-/m1/s1
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1.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50065259
PNG
((2R,3R,4R,5R)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1
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3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50403112
PNG
(CHEMBL2115566)
Show SMILES C[C@@H]1OC=C[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H10O3/c1-4-6(8)5(7)2-3-9-4/h2-8H,1H3/t4-,5+,6+/m0/s1
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5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50403114
PNG
(CHEMBL1337303)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5+,6-/m1/s1
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5.30E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50104411
PNG
((R)-6-Methyl-tetrahydro-thiopyran-2,3,4,5-tetraol ...)
Show SMILES CC1SC(O)C(O)[C@H](O)C1O
Show InChI InChI=1S/C6H12O4S/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2?,3?,4-,5?,6?/m1/s1
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8.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50280035
PNG
(1-(4-Hydroxy-2-methyl-3,4-dihydro-2H-pyran-3-yl)-e...)
Show SMILES CC1OC=CC(O)C1C(C)=O
Show InChI InChI=1S/C8H12O3/c1-5(9)8-6(2)11-4-3-7(8)10/h3-4,6-8,10H,1-2H3
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9.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50242419
PNG
(6-Deoxy-L-galactose | 6-deoxy-L-galactopyranoseL-f...)
Show SMILES C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1
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3.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50037814
PNG
(2,5-Bis-hydroxymethyl-pyrrolidine-3,4-diol | CHEMB...)
Show SMILES OCC1NC(CO)C(O)C1O
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2
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9.10E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50403113
PNG
(CHEMBL2115524)
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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1.00E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50280032
PNG
((2R,3R,4R,5S)-2-Methyl-piperidine-3,4,5-triol | 1,...)
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-/m1/s1
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1.70E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50076963
PNG
((3R,5R)-2-Hydroxymethyl-1-methyl-piperidine-3,4,5-...)
Show SMILES CN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3
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5.30E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50179480
PNG
((2R,3S,4R,5S)-2-methylpiperidine-3,4,5-triol | CHE...)
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-/m1/s1
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7.90E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50280039
PNG
(2-Phenyl-3,4-dihydro-2H-pyran-3,4-diol | CHEMBL120...)
Show SMILES OC1C=COC(C1O)c1ccccc1
Show InChI InChI=1S/C11H12O3/c12-9-6-7-14-11(10(9)13)8-4-2-1-3-5-8/h1-7,9-13H
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2.20E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase; Uncompetitive inhibition


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50403109
PNG
(CHEMBL2115527)
Show SMILES C[C@H]1OC=C[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H10O3/c1-4-6(8)5(7)2-3-9-4/h2-8H,1H3/t4-,5-,6+/m1/s1
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2.30E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase; Uncompetitive inhibition


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50280035
PNG
(1-(4-Hydroxy-2-methyl-3,4-dihydro-2H-pyran-3-yl)-e...)
Show SMILES CC1OC=CC(O)C1C(C)=O
Show InChI InChI=1S/C8H12O3/c1-5(9)8-6(2)11-4-3-7(8)10/h3-4,6-8,10H,1-2H3
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2.60E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50163440
PNG
((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1
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3.40E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50403109
PNG
(CHEMBL2115527)
Show SMILES C[C@H]1OC=C[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H10O3/c1-4-6(8)5(7)2-3-9-4/h2-8H,1H3/t4-,5-,6+/m1/s1
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3.50E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase; Uncompetitive inhibition


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50280039
PNG
(2-Phenyl-3,4-dihydro-2H-pyran-3,4-diol | CHEMBL120...)
Show SMILES OC1C=COC(C1O)c1ccccc1
Show InChI InChI=1S/C11H12O3/c12-9-6-7-14-11(10(9)13)8-4-2-1-3-5-8/h1-7,9-13H
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8.30E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase; Uncompetitive inhibition


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50403110
PNG
(CHEMBL179085)
Show SMILES OC[C@@H]1NC[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m0/s1
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9.00E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50280036
PNG
(2-Phenyl-3,4-dihydro-2H-pyran-4-ol | CHEMBL333105)
Show SMILES OC1CC(OC=C1)c1ccccc1
Show InChI InChI=1S/C11H12O2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-7,10-12H,8H2
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>1.00E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50280034
PNG
(1-(4-Hydroxy-2-phenyl-3,4-dihydro-2H-pyran-3-yl)-e...)
Show SMILES CC(=O)C1C(O)C=COC1c1ccccc1
Show InChI InChI=1S/C13H14O3/c1-9(14)12-11(15)7-8-16-13(12)10-5-3-2-4-6-10/h2-8,11-13,15H,1H3
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>1.00E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50280037
PNG
(3-Benzyloxy-2-phenyl-3,4-dihydro-2H-pyran-4-ol | C...)
Show SMILES OC1C=COC(C1OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H18O3/c19-16-11-12-20-17(15-9-5-2-6-10-15)18(16)21-13-14-7-3-1-4-8-14/h1-12,16-19H,13H2
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>1.00E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50280038
PNG
(3,5-Dimethyl-2-phenyl-3,4-dihydro-2H-pyran-4-ol | ...)
Show SMILES CC1C(O)C(C)=COC1c1ccccc1
Show InChI InChI=1S/C13H16O2/c1-9-8-15-13(10(2)12(9)14)11-6-4-3-5-7-11/h3-8,10,12-14H,1-2H3
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Article
>1.00E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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Article
>1.00E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50280038
PNG
(3,5-Dimethyl-2-phenyl-3,4-dihydro-2H-pyran-4-ol | ...)
Show SMILES CC1C(O)C(C)=COC1c1ccccc1
Show InChI InChI=1S/C13H16O2/c1-9-8-15-13(10(2)12(9)14)11-6-4-3-5-7-11/h3-8,10,12-14H,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
>1.00E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair