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Compile Data Set for Download or QSAR

Found 8 hits of affinity data for UniProtKB/TrEMBL: Q8ABG8   
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-fucosidase


(Bacteroides thetaiotaomicron)
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/TrEMBL

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Article
PubMed
n/an/an/a 14.8n/an/an/a6.037



University of York



Assay Description
The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...


Chembiochem 11: 1971-4 (2010)

More data for this
Ligand-Target Pair
Alpha-fucosidase


(Bacteroides thetaiotaomicron)
BDBM84878
PNG
(Fucosidase Inhibitor, 4)
Show SMILES CC1NC(CNC(=O)c2cccc3-c4ccccc4C(=O)c23)C(O)C(O)C1O
Show InChI InChI=1S/C21H22N2O5/c1-10-17(24)20(27)19(26)15(23-10)9-22-21(28)14-8-4-7-12-11-5-2-3-6-13(11)18(25)16(12)14/h2-8,10,15,17,19-20,23-24,26-27H,9H2,1H3,(H,22,28)
KEGG

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 46.6n/an/an/a6.037



University of York



Assay Description
The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...


Chembiochem 11: 1971-4 (2010)

More data for this
Ligand-Target Pair
Alpha-fucosidase


(Bacteroides thetaiotaomicron)
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/TrEMBL

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PC sid
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UniChem

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Article
PubMed
n/an/an/a 27n/an/an/a6.537



University of York



Assay Description
The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...


Chembiochem 11: 1971-4 (2010)

More data for this
Ligand-Target Pair
Alpha-fucosidase


(Bacteroides thetaiotaomicron)
BDBM84878
PNG
(Fucosidase Inhibitor, 4)
Show SMILES CC1NC(CNC(=O)c2cccc3-c4ccccc4C(=O)c23)C(O)C(O)C1O
Show InChI InChI=1S/C21H22N2O5/c1-10-17(24)20(27)19(26)15(23-10)9-22-21(28)14-8-4-7-12-11-5-2-3-6-13(11)18(25)16(12)14/h2-8,10,15,17,19-20,23-24,26-27H,9H2,1H3,(H,22,28)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 157n/an/an/a8.537



University of York



Assay Description
The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...


Chembiochem 11: 1971-4 (2010)

More data for this
Ligand-Target Pair
Alpha-fucosidase


(Bacteroides thetaiotaomicron)
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/TrEMBL

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PC sid
PDB
UniChem

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Article
PubMed
n/an/an/a 55.1n/an/an/a7.037



University of York



Assay Description
The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...


Chembiochem 11: 1971-4 (2010)

More data for this
Ligand-Target Pair
Alpha-fucosidase


(Bacteroides thetaiotaomicron)
BDBM84878
PNG
(Fucosidase Inhibitor, 4)
Show SMILES CC1NC(CNC(=O)c2cccc3-c4ccccc4C(=O)c23)C(O)C(O)C1O
Show InChI InChI=1S/C21H22N2O5/c1-10-17(24)20(27)19(26)15(23-10)9-22-21(28)14-8-4-7-12-11-5-2-3-6-13(11)18(25)16(12)14/h2-8,10,15,17,19-20,23-24,26-27H,9H2,1H3,(H,22,28)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 63.3n/an/an/a7.037



University of York



Assay Description
The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...


Chembiochem 11: 1971-4 (2010)

More data for this
Ligand-Target Pair
Alpha-fucosidase


(Bacteroides thetaiotaomicron)
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/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 372n/an/an/a8.537



University of York



Assay Description
The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...


Chembiochem 11: 1971-4 (2010)

More data for this
Ligand-Target Pair
Alpha-fucosidase


(Bacteroides thetaiotaomicron)
BDBM84878
PNG
(Fucosidase Inhibitor, 4)
Show SMILES CC1NC(CNC(=O)c2cccc3-c4ccccc4C(=O)c23)C(O)C(O)C1O
Show InChI InChI=1S/C21H22N2O5/c1-10-17(24)20(27)19(26)15(23-10)9-22-21(28)14-8-4-7-12-11-5-2-3-6-13(11)18(25)16(12)14/h2-8,10,15,17,19-20,23-24,26-27H,9H2,1H3,(H,22,28)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 60n/an/an/a6.537



University of York



Assay Description
The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...


Chembiochem 11: 1971-4 (2010)

More data for this
Ligand-Target Pair