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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lysosomal alpha-glucosidase' and Ligand = 'BDBM50398031'   
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


(Homo sapiens (Human))
BDBM50398031
PNG
(CHEMBL1708234)
Show SMILES CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C14H17N3O4S/c1-10(18)16-4-6-17(7-5-16)22(20,21)12-2-3-13-11(8-12)9-14(19)15-13/h2-3,8H,4-7,9H2,1H3,(H,15,19)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.19E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using blue-shifted dye by fluorescence assay


J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50398031
PNG
(CHEMBL1708234)
Show SMILES CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C14H17N3O4S/c1-10(18)16-4-6-17(7-5-16)22(20,21)12-2-3-13-11(8-12)9-14(19)15-13/h2-3,8H,4-7,9H2,1H3,(H,15,19)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.49E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using red-shifted dye by fluorescence assay


J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair