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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Lysosomal alpha-glucosidase' and Ligand = 'BDBM50208826'   
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
Lysosomal alpha-glucosidase


(Rattus norvegicus)
BDBM50208826
PNG
((+)-Pinoresinol | 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-...)
Show SMILES COc1cc(ccc1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m1/s1
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MCE
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PubMed
2.88E+5n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Competitive inhibition of rat intestinal maltase using maltose as substrate assessed as dissociation of enzyme-inhibitor complex at 0.1 to 1 mg/ml by...


Bioorg Med Chem Lett 22: 5215-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.068
BindingDB Entry DOI: 10.7270/Q28G8MR8
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)
BDBM50208826
PNG
((+)-Pinoresinol | 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-...)
Show SMILES COc1cc(ccc1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m1/s1
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PubMed
1.34E+6n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of rat intestinal maltase using maltose as substrate assessed as dissociation of enzyme-substrate-inhibitor complex at 0.1...


Bioorg Med Chem Lett 22: 5215-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.068
BindingDB Entry DOI: 10.7270/Q28G8MR8
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)
BDBM50208826
PNG
((+)-Pinoresinol | 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-...)
Show SMILES COc1cc(ccc1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m1/s1
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MCE
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Article
PubMed
n/an/a 3.43E+4n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase using maltose as substrate preincubated for 10 mins before substrate addition by glucose oxidase method


Bioorg Med Chem Lett 22: 5215-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.068
BindingDB Entry DOI: 10.7270/Q28G8MR8
More data for this
Ligand-Target Pair