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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Alpha-glucosidase MAL12' and Ligand = 'BDBM243073'   
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 MAL12


(Saccharomyces cerevisiae)
BDBM243073
PNG
(α-Gl inhibitor, C1)
Show SMILES OCC(O)C(O)C(O)C(O)C1c2c([nH]c(=O)[nH]c2=O)N(c2ccc(O)cc2)c2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1/C20H21N5O10/c26-5-8(28)12(29)14(31)13(30)9-10-15(21-19(34)23-17(10)32)25(6-1-3-7(27)4-2-6)16-11(9)18(33)24-20(35)22-16/h1-4,8-9,12-14,26-31H,5H2,(H2,21,23,32,34)(H2,22,24,33,35)
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.00E+4n/an/an/an/an/an/a7.0n/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)


Article DOI: 10.3109/14756366.2012.727812
BindingDB Entry DOI: 10.7270/Q2XP73V0
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243073
PNG
(α-Gl inhibitor, C1)
Show SMILES OCC(O)C(O)C(O)C(O)C1c2c([nH]c(=O)[nH]c2=O)N(c2ccc(O)cc2)c2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1/C20H21N5O10/c26-5-8(28)12(29)14(31)13(30)9-10-15(21-19(34)23-17(10)32)25(6-1-3-7(27)4-2-6)16-11(9)18(33)24-20(35)22-16/h1-4,8-9,12-14,26-31H,5H2,(H2,21,23,32,34)(H2,22,24,33,35)
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.70E+5n/an/an/an/an/an/a7.0n/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)


Article DOI: 10.3109/14756366.2012.727812
BindingDB Entry DOI: 10.7270/Q2XP73V0
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243073
PNG
(α-Gl inhibitor, C1)
Show SMILES OCC(O)C(O)C(O)C(O)C1c2c([nH]c(=O)[nH]c2=O)N(c2ccc(O)cc2)c2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1/C20H21N5O10/c26-5-8(28)12(29)14(31)13(30)9-10-15(21-19(34)23-17(10)32)25(6-1-3-7(27)4-2-6)16-11(9)18(33)24-20(35)22-16/h1-4,8-9,12-14,26-31H,5H2,(H2,21,23,32,34)(H2,22,24,33,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.49E+4n/an/an/an/a7.0n/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)


Article DOI: 10.3109/14756366.2012.727812
BindingDB Entry DOI: 10.7270/Q2XP73V0
More data for this
Ligand-Target Pair