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BDBM50163441 (2R,3S,4S,5R)-2-Hydroxymethyl-piperidine-3,4,5-triol::CHEMBL368121

SMILES: OC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O

InChI Key: InChIKey=LXBIFEVIBLOUGU-ZXXMMSQZSA-N

Data: 4 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 4 hits for monomerid = 50163441   
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
Beta-glucosidase cytosolic


(Homo sapiens)
BDBM50163441
PNG
((2R,3S,4S,5R)-2-Hydroxymethyl-piperidine-3,4,5-tri...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5+,6+/m1/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.60E+4n/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human beta-glucosidase


J Med Chem 48: 2036-44 (2005)


Article DOI: 10.1021/jm0495881
BindingDB Entry DOI: 10.7270/Q2DF6S0M
More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM50163441
PNG
((2R,3S,4S,5R)-2-Hydroxymethyl-piperidine-3,4,5-tri...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5+,6+/m1/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.90E+5n/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human alpha-galactosidase


J Med Chem 48: 2036-44 (2005)


Article DOI: 10.1021/jm0495881
BindingDB Entry DOI: 10.7270/Q2DF6S0M
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50163441
PNG
((2R,3S,4S,5R)-2-Hydroxymethyl-piperidine-3,4,5-tri...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5+,6+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 8.50E+5n/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-galactosidase of bovine liver


J Med Chem 48: 2036-44 (2005)


Article DOI: 10.1021/jm0495881
BindingDB Entry DOI: 10.7270/Q2DF6S0M
More data for this
Ligand-Target Pair
Beta-glucosidase cytosolic


(Homo sapiens)
BDBM50163441
PNG
((2R,3S,4S,5R)-2-Hydroxymethyl-piperidine-3,4,5-tri...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5+,6+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+4n/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-glucosidase


J Med Chem 48: 2036-44 (2005)


Article DOI: 10.1021/jm0495881
BindingDB Entry DOI: 10.7270/Q2DF6S0M
More data for this
Ligand-Target Pair