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BDBM113757 DGJ-pMe OPhT

SMILES: COc1ccc(NC(=S)N2C[C@H](O)[C@@H](O)[C@@H](O)[C@H]2CO)cc1

InChI Key: InChIKey=RSLKSSHLNYXWPD-MROQNXINSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 113757   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM113757
PNG
(DGJ-pMe OPhT)
Show SMILES COc1ccc(NC(=S)N2C[C@H](O)[C@@H](O)[C@@H](O)[C@H]2CO)cc1
Show InChI InChI=1S/C14H20N2O5S/c1-21-9-4-2-8(3-5-9)15-14(22)16-6-11(18)13(20)12(19)10(16)7-17/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,22)/t10-,11+,12+,13-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/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)

More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM113757
PNG
(DGJ-pMe OPhT)
Show SMILES COc1ccc(NC(=S)N2C[C@H](O)[C@@H](O)[C@@H](O)[C@H]2CO)cc1
Show InChI InChI=1S/C14H20N2O5S/c1-21-9-4-2-8(3-5-9)15-14(22)16-6-11(18)13(20)12(19)10(16)7-17/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,22)/t10-,11+,12+,13-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 74n/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)

More data for this
Ligand-Target Pair