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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50034806   
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)
BDBM50072588
PNG
((2S,3R,4R,5R,6S)-2-Hydroxymethyl-6-methyl-piperidi...)
Show SMILES CC1NC(CO)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C7H15NO4/c1-3-5(10)7(12)6(11)4(2-9)8-3/h3-12H,2H2,1H3/t3?,4?,5-,6-,7+/m1/s1
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5.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity (competitive) against alpha-L-fucosidase from bovine kidney


Bioorg Med Chem Lett 5: 2169-2174 (1995)


Article DOI: 10.1016/0960-894X(95)00377-6
BindingDB Entry DOI: 10.7270/Q2Z038N8
More data for this
Ligand-Target Pair
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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6.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity (competitive) against alpha-L-fucosidase from bovine kidney


Bioorg Med Chem Lett 5: 2169-2174 (1995)


Article DOI: 10.1016/0960-894X(95)00377-6
BindingDB Entry DOI: 10.7270/Q2Z038N8
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50285246
PNG
(2,6-Diimino-hexane-1,3,4,5-tetraol | CHEMBL71731)
Show SMILES NCC(O)C(=O)C(=O)C(N)CO
Show InChI InChI=1S/C6H12N2O4/c7-1-4(10)6(12)5(11)3(8)2-9/h3-4,9-10H,1-2,7-8H2
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7.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity (competitive) against alpha-L-fucosidase from bovine kidney


Bioorg Med Chem Lett 5: 2169-2174 (1995)


Article DOI: 10.1016/0960-894X(95)00377-6
BindingDB Entry DOI: 10.7270/Q2Z038N8
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50285246
PNG
(2,6-Diimino-hexane-1,3,4,5-tetraol | CHEMBL71731)
Show SMILES NCC(O)C(=O)C(=O)C(N)CO
Show InChI InChI=1S/C6H12N2O4/c7-1-4(10)6(12)5(11)3(8)2-9/h3-4,9-10H,1-2,7-8H2
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1.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-L-fucosidase from bovine epididymis


Bioorg Med Chem Lett 5: 2169-2174 (1995)


Article DOI: 10.1016/0960-894X(95)00377-6
BindingDB Entry DOI: 10.7270/Q2Z038N8
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50285243
PNG
((2R,3S,4S,5S,6S)-5-Mercapto-6-methyl-tetrahydro-py...)
Show SMILES C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1S
Show InChI InChI=1S/C6H12O4S/c1-2-5(11)3(7)4(8)6(9)10-2/h2-9,11H,1H3/t2-,3-,4-,5+,6+/m0/s1
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4.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity (competitive) against alpha-L-fucosidase from bovine kidney


Bioorg Med Chem Lett 5: 2169-2174 (1995)


Article DOI: 10.1016/0960-894X(95)00377-6
BindingDB Entry DOI: 10.7270/Q2Z038N8
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50285243
PNG
((2R,3S,4S,5S,6S)-5-Mercapto-6-methyl-tetrahydro-py...)
Show SMILES C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1S
Show InChI InChI=1S/C6H12O4S/c1-2-5(11)3(7)4(8)6(9)10-2/h2-9,11H,1H3/t2-,3-,4-,5+,6+/m0/s1
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8.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-L-fucosidase from bovine epididymis


Bioorg Med Chem Lett 5: 2169-2174 (1995)


Article DOI: 10.1016/0960-894X(95)00377-6
BindingDB Entry DOI: 10.7270/Q2Z038N8
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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Article
3.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity (competitive) against alpha-L-fucosidase from bovine kidney


Bioorg Med Chem Lett 5: 2169-2174 (1995)


Article DOI: 10.1016/0960-894X(95)00377-6
BindingDB Entry DOI: 10.7270/Q2Z038N8
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50285245
PNG
(CHEMBL432720 | N-[(3S,5S)-2-Hydroxy-6-hydroxymethy...)
Show SMILES CC1OC(SC2CC(NC(C)=O)C(O)OC2CO)C(O)C(O)C1O
Show InChI InChI=1S/C14H25NO8S/c1-5-10(18)11(19)12(20)14(22-5)24-9-3-7(15-6(2)17)13(21)23-8(9)4-16/h5,7-14,16,18-21H,3-4H2,1-2H3,(H,15,17)
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2.40E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity (mixed) against alpha-L-fucosidase from bovine kidney


Bioorg Med Chem Lett 5: 2169-2174 (1995)


Article DOI: 10.1016/0960-894X(95)00377-6
BindingDB Entry DOI: 10.7270/Q2Z038N8
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50285249
PNG
((2S,4S,5S)-2-((3S,5S)-5,6-Dihydroxy-2-hydroxymethy...)
Show SMILES CC1OC(SC2CC(O)C(O)OC2CO)C(O)C(O)C1O
Show InChI InChI=1S/C12H22O8S/c1-4-8(15)9(16)10(17)12(19-4)21-7-2-5(14)11(18)20-6(7)3-13/h4-18H,2-3H2,1H3
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4.00E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity (mixed) against alpha-L-fucosidase from bovine kidney


Bioorg Med Chem Lett 5: 2169-2174 (1995)


Article DOI: 10.1016/0960-894X(95)00377-6
BindingDB Entry DOI: 10.7270/Q2Z038N8
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50285244
PNG
(CHEMBL303861 | Pent-4-enoic acid [(3S,5S)-2,4-dihy...)
Show SMILES CC1OC(SC2C(CO)OC(O)C(NC(=O)CCC=C)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C17H29NO9S/c1-3-4-5-9(20)18-10-12(22)15(8(6-19)27-16(10)25)28-17-14(24)13(23)11(21)7(2)26-17/h3,7-8,10-17,19,21-25H,1,4-6H2,2H3,(H,18,20)
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Article
4.90E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity (mixed) against alpha-L-fucosidase from bovine kidney


Bioorg Med Chem Lett 5: 2169-2174 (1995)


Article DOI: 10.1016/0960-894X(95)00377-6
BindingDB Entry DOI: 10.7270/Q2Z038N8
More data for this
Ligand-Target Pair