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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-glucosidase A (α-Gal A)' and Ligand = 'BDBM113758'   
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 A (α-Gal A)


(Homo sapiens (Human))
BDBM113758
PNG
(DGJ-pMe SPhT)
Show SMILES CSc1ccc(NC(=S)N2C[C@H](O)[C@@H](O)[C@@H](O)[C@H]2CO)cc1
Show InChI InChI=1S/C14H20N2O4S2/c1-22-9-4-2-8(3-5-9)15-14(21)16-6-11(18)13(20)12(19)10(16)7-17/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,21)/t10-,11+,12+,13-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/a7.0n/a



Tottori University , Yonago 683-8503, Japan



Assay Description
For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...


ACS Chem Biol 9: 1460-9 (2014)


Article DOI: 10.1021/cb500143h
BindingDB Entry DOI: 10.7270/Q2XS5T16
More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM113758
PNG
(DGJ-pMe SPhT)
Show SMILES CSc1ccc(NC(=S)N2C[C@H](O)[C@@H](O)[C@@H](O)[C@H]2CO)cc1
Show InChI InChI=1S/C14H20N2O4S2/c1-22-9-4-2-8(3-5-9)15-14(21)16-6-11(18)13(20)12(19)10(16)7-17/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,21)/t10-,11+,12+,13-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.30n/an/an/an/a5.0n/a



Tottori University , Yonago 683-8503, Japan



Assay Description
For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...


ACS Chem Biol 9: 1460-9 (2014)


Article DOI: 10.1021/cb500143h
BindingDB Entry DOI: 10.7270/Q2XS5T16
More data for this
Ligand-Target Pair