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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 303.3
BDBM50438506

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM50438506
PNG
(CHEMBL2414816)
Show SMILES OC[C@H]1O[C@@H](CNC(=O)c2cccs2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H17NO6S/c14-5-7-10(16)11(17)9(15)6(19-7)4-13-12(18)8-2-1-3-20-8/h1-3,6-7,9-11,14-17H,4-5H2,(H,13,18)/t6-,7+,9-,10+,11+/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.25E+5n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae alpha-glucosidase assessed as 4-nitrophenol release from 4-nitrophenyl alpha-D-glucopyranoside preincubated fo...


Bioorg Med Chem 21: 5442-50 (2013)


Article DOI: 10.1016/j.bmc.2013.06.002
BindingDB Entry DOI: 10.7270/Q2HD7X24
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)
BDBM50438506
PNG
(CHEMBL2414816)
Show SMILES OC[C@H]1O[C@@H](CNC(=O)c2cccs2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H17NO6S/c14-5-7-10(16)11(17)9(15)6(19-7)4-13-12(18)8-2-1-3-20-8/h1-3,6-7,9-11,14-17H,4-5H2,(H,13,18)/t6-,7+,9-,10+,11+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.45E+5n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase using maltose as substrate assessed as D-glucose release from substrate preincubated for 15 mins measured after ...


Bioorg Med Chem 21: 5442-50 (2013)


Article DOI: 10.1016/j.bmc.2013.06.002
BindingDB Entry DOI: 10.7270/Q2HD7X24
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50438506
PNG
(CHEMBL2414816)
Show SMILES OC[C@H]1O[C@@H](CNC(=O)c2cccs2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H17NO6S/c14-5-7-10(16)11(17)9(15)6(19-7)4-13-12(18)8-2-1-3-20-8/h1-3,6-7,9-11,14-17H,4-5H2,(H,13,18)/t6-,7+,9-,10+,11+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+6n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using sucrose as substrate assessed as D-glucose release from substrate preincubated for 15 mins measured after ...


Bioorg Med Chem 21: 5442-50 (2013)


Article DOI: 10.1016/j.bmc.2013.06.002
BindingDB Entry DOI: 10.7270/Q2HD7X24
More data for this
Ligand-Target Pair