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BDBM113759 DGJ-pF PhT

SMILES: OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1C(=S)Nc1ccc(F)cc1

InChI Key: InChIKey=WPBCEOLJVINCLL-NOOOWODRSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 113759   
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))
BDBM113759
PNG
(DGJ-pF PhT)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1C(=S)Nc1ccc(F)cc1
Show InChI InChI=1S/C13H17FN2O4S/c14-7-1-3-8(4-2-7)15-13(21)16-5-10(18)12(20)11(19)9(16)6-17/h1-4,9-12,17-20H,5-6H2,(H,15,21)/t9-,10+,11+,12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 43n/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
3D
3D Structure (crystal)
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM113759
PNG
(DGJ-pF PhT)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1C(=S)Nc1ccc(F)cc1
Show InChI InChI=1S/C13H17FN2O4S/c14-7-1-3-8(4-2-7)15-13(21)16-5-10(18)12(20)11(19)9(16)6-17/h1-4,9-12,17-20H,5-6H2,(H,15,21)/t9-,10+,11+,12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 340n/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
3D
3D Structure (crystal)