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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50008348   
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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.80n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was determined against alpha-L-fucosidase in bovine epididymis; Competitive Inhibition type


Bioorg Med Chem Lett 8: 3265-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00596-4
BindingDB Entry DOI: 10.7270/Q24J0D9C
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
KEGG

UniProtKB/SwissProt

GoogleScholar
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Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
6.20n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was determined against alpha-L-fucosidase in bovine epididymis; Competitive Inhibition type


Bioorg Med Chem Lett 8: 3265-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00596-4
BindingDB Entry DOI: 10.7270/Q24J0D9C
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50072586
PNG
(CHEMBL323048 | N-(3,4,5-Trihydroxy-6-methyl-tetrah...)
Show SMILES CC1OC(SCNC(C)=O)C(O)C(O)C1O
Show InChI InChI=1S/C9H17NO5S/c1-4-6(12)7(13)8(14)9(15-4)16-3-10-5(2)11/h4,6-9,12-14H,3H2,1-2H3,(H,10,11)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.90E+3n/an/an/an/an/an/a6.5n/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was determined against alpha-L-fucosidase in human placenta at PH of 6.5; Mixed Inhibition type


Bioorg Med Chem Lett 8: 3265-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00596-4
BindingDB Entry DOI: 10.7270/Q24J0D9C
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50072586
PNG
(CHEMBL323048 | N-(3,4,5-Trihydroxy-6-methyl-tetrah...)
Show SMILES CC1OC(SCNC(C)=O)C(O)C(O)C1O
Show InChI InChI=1S/C9H17NO5S/c1-4-6(12)7(13)8(14)9(15-4)16-3-10-5(2)11/h4,6-9,12-14H,3H2,1-2H3,(H,10,11)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.60E+3n/an/an/an/an/an/a6.5n/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was determined against alpha-L-fucosidase in bovine kidney at PH of 6.5; Mixed Inhibition type


Bioorg Med Chem Lett 8: 3265-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00596-4
BindingDB Entry DOI: 10.7270/Q24J0D9C
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50072586
PNG
(CHEMBL323048 | N-(3,4,5-Trihydroxy-6-methyl-tetrah...)
Show SMILES CC1OC(SCNC(C)=O)C(O)C(O)C1O
Show InChI InChI=1S/C9H17NO5S/c1-4-6(12)7(13)8(14)9(15-4)16-3-10-5(2)11/h4,6-9,12-14H,3H2,1-2H3,(H,10,11)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.60E+3n/an/an/an/an/an/a6.5n/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was determined against alpha-L-fucosidase in bovine epididymis at PH of 6.5; Competitive Inhibition type


Bioorg Med Chem Lett 8: 3265-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00596-4
BindingDB Entry DOI: 10.7270/Q24J0D9C
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50072585
PNG
(2-Aminomethylsulfanyl-6-methyl-tetrahydro-pyran-3,...)
Show SMILES CC1OC(SCN)C(O)C(O)C1O
Show InChI InChI=1S/C7H15NO4S/c1-3-4(9)5(10)6(11)7(12-3)13-2-8/h3-7,9-11H,2,8H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.90E+3n/an/an/an/an/an/a6.5n/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was determined against alpha-L-fucosidase in bovine kidney at PH of 6.5; Mixed Inhibition type


Bioorg Med Chem Lett 8: 3265-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00596-4
BindingDB Entry DOI: 10.7270/Q24J0D9C
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50072585
PNG
(2-Aminomethylsulfanyl-6-methyl-tetrahydro-pyran-3,...)
Show SMILES CC1OC(SCN)C(O)C(O)C1O
Show InChI InChI=1S/C7H15NO4S/c1-3-4(9)5(10)6(11)7(12-3)13-2-8/h3-7,9-11H,2,8H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.10E+3n/an/an/an/an/an/a6.5n/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was determined against alpha-L-fucosidase in human placenta at PH of 6.5; Mixed Inhibition type


Bioorg Med Chem Lett 8: 3265-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00596-4
BindingDB Entry DOI: 10.7270/Q24J0D9C
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50072585
PNG
(2-Aminomethylsulfanyl-6-methyl-tetrahydro-pyran-3,...)
Show SMILES CC1OC(SCN)C(O)C(O)C1O
Show InChI InChI=1S/C7H15NO4S/c1-3-4(9)5(10)6(11)7(12-3)13-2-8/h3-7,9-11H,2,8H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.80E+3n/an/an/an/an/an/a6.5n/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was determined against alpha-L-fucosidase in bovine epididymis at PH of 6.5; Competitive Inhibition type


Bioorg Med Chem Lett 8: 3265-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00596-4
BindingDB Entry DOI: 10.7270/Q24J0D9C
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50072587
PNG
((2R,3S,4R,5S,6R)-6-Mercaptomethyl-tetrahydro-pyran...)
Show SMILES O[C@@H]1O[C@@H](CS)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3+,4+,5-,6+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.20E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was determined against alpha-L-fucosidase in bovine kidney; Competitive Inhibition type


Bioorg Med Chem Lett 8: 3265-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00596-4
BindingDB Entry DOI: 10.7270/Q24J0D9C
More data for this
Ligand-Target Pair