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PubMed code 29074258

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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-glucosidase


(Aspergillus niger)
BDBM50451726
PNG
(CHEMBL4215543)
Show SMILES [H][C@@]1(N[C@@H](CO)[C@H]1O)[C@@H](O)CO |r|
Show InChI InChI=1S/C6H13NO4/c8-1-3-6(11)5(7-3)4(10)2-9/h3-11H,1-2H2/t3-,4-,5+,6+/m0/s1
KEGG

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 5.37E+4n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus niger alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 1 hr followed by substrat...


Bioorg Med Chem Lett 27: 5291-5295 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.025
BindingDB Entry DOI: 10.7270/Q27H1N5F
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Escherichia coli)
BDBM50451726
PNG
(CHEMBL4215543)
Show SMILES [H][C@@]1(N[C@@H](CO)[C@H]1O)[C@@H](O)CO |r|
Show InChI InChI=1S/C6H13NO4/c8-1-3-6(11)5(7-3)4(10)2-9/h3-11H,1-2H2/t3-,4-,5+,6+/m0/s1
UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 5.46E+4n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli alpha-galactosidase using p-nitrophenyl-alpha-D-galactopyranoside as substrate preincubated for 1 hr followed by subst...


Bioorg Med Chem Lett 27: 5291-5295 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.025
BindingDB Entry DOI: 10.7270/Q27H1N5F
More data for this
Ligand-Target Pair
Alpha-glucosidase


(Aspergillus niger)
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
KEGG

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PDB
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Article
PubMed
n/an/a 5.71E+4n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus niger alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 1 hr followed by substrat...


Bioorg Med Chem Lett 27: 5291-5295 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.025
BindingDB Entry DOI: 10.7270/Q27H1N5F
More data for this
Ligand-Target Pair
Alpha-glucosidase


(Aspergillus niger)
BDBM50451728
PNG
(CHEMBL4208842)
Show SMILES CN1[C@@H](CO)[C@@H](O)[C@H]1C(O)=O |r|
Show InChI InChI=1S/C6H11NO4/c1-7-3(2-8)5(9)4(7)6(10)11/h3-5,8-9H,2H2,1H3,(H,10,11)/t3-,4-,5+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.46E+4n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus niger alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 1 hr followed by substrat...


Bioorg Med Chem Lett 27: 5291-5295 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.025
BindingDB Entry DOI: 10.7270/Q27H1N5F
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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CHEMBL
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MCE
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PC sid
PDB
UniChem

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Article
PubMed
n/an/a 7.59E+4n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly

Curated by ChEMBL


Assay Description
Inhibition of Canavalia ensiformis alpha-mannosidase using p-nitrophenyl-alpha-D-mannopyranoside as substrate preincubated for 1 hr followed by subst...


Bioorg Med Chem Lett 27: 5291-5295 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.025
BindingDB Entry DOI: 10.7270/Q27H1N5F
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50451726
PNG
(CHEMBL4215543)
Show SMILES [H][C@@]1(N[C@@H](CO)[C@H]1O)[C@@H](O)CO |r|
Show InChI InChI=1S/C6H13NO4/c8-1-3-6(11)5(7-3)4(10)2-9/h3-11H,1-2H2/t3-,4-,5+,6+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.60E+4n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly

Curated by ChEMBL


Assay Description
Inhibition of Canavalia ensiformis alpha-mannosidase using p-nitrophenyl-alpha-D-mannopyranoside as substrate preincubated for 1 hr followed by subst...


Bioorg Med Chem Lett 27: 5291-5295 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.025
BindingDB Entry DOI: 10.7270/Q27H1N5F
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50451728
PNG
(CHEMBL4208842)
Show SMILES CN1[C@@H](CO)[C@@H](O)[C@H]1C(O)=O |r|
Show InChI InChI=1S/C6H11NO4/c1-7-3(2-8)5(9)4(7)6(10)11/h3-5,8-9H,2H2,1H3,(H,10,11)/t3-,4-,5+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.38E+4n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly

Curated by ChEMBL


Assay Description
Inhibition of Canavalia ensiformis alpha-mannosidase using p-nitrophenyl-alpha-D-mannopyranoside as substrate preincubated for 1 hr followed by subst...


Bioorg Med Chem Lett 27: 5291-5295 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.025
BindingDB Entry DOI: 10.7270/Q27H1N5F
More data for this
Ligand-Target Pair
Alpha-glucosidase


(Aspergillus niger)
BDBM50451727
PNG
(CHEMBL4218600)
Show SMILES OC[C@H]1N[C@@H](CO)[C@H]1O |r|
Show InChI InChI=1S/C5H11NO3/c7-1-3-5(9)4(2-8)6-3/h3-9H,1-2H2/t3-,4+,5+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.94E+4n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus niger alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 1 hr followed by substrat...


Bioorg Med Chem Lett 27: 5291-5295 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.025
BindingDB Entry DOI: 10.7270/Q27H1N5F
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50451727
PNG
(CHEMBL4218600)
Show SMILES OC[C@H]1N[C@@H](CO)[C@H]1O |r|
Show InChI InChI=1S/C5H11NO3/c7-1-3-5(9)4(2-8)6-3/h3-9H,1-2H2/t3-,4+,5+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+5n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly

Curated by ChEMBL


Assay Description
Inhibition of Canavalia ensiformis alpha-mannosidase using p-nitrophenyl-alpha-D-mannopyranoside as substrate preincubated for 1 hr followed by subst...


Bioorg Med Chem Lett 27: 5291-5295 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.025
BindingDB Entry DOI: 10.7270/Q27H1N5F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%