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BDBM50280029 (2R,3R,4R,5S)-2-(1-Hydroxy-propyl)-piperidine-3,4,5-triol::CHEMBL108656

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

InChI Key: InChIKey=BBVGWVBGOXTUDE-XUQKIGAKSA-N

Data: 5 KI

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 5 hits for monomerid = 50280029   
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
Neutral alpha-glucosidase AB


(Homo sapiens (Human))
BDBM50280029
PNG
((2R,3R,4R,5S)-2-(1-Hydroxy-propyl)-piperidine-3,4,...)
Show SMILES CCC(O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C8H17NO4/c1-2-4(10)6-8(13)7(12)5(11)3-9-6/h4-13H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1
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Article
3.00E+3n/an/an/an/an/an/a7.0n/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 5.0


Bioorg Med Chem Lett 2: 27-32 (1992)


Article DOI: 10.1016/S0960-894X(00)80648-4
BindingDB Entry DOI: 10.7270/Q2TH8MKB
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50280029
PNG
((2R,3R,4R,5S)-2-(1-Hydroxy-propyl)-piperidine-3,4,...)
Show SMILES CCC(O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C8H17NO4/c1-2-4(10)6-8(13)7(12)5(11)3-9-6/h4-13H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1
PDB
MMDB

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Article
4.20E+4n/an/an/an/an/an/a5.0n/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on Asp. Wentii beta Glucosidase at pH 5.0


Bioorg Med Chem Lett 2: 27-32 (1992)


Article DOI: 10.1016/S0960-894X(00)80648-4
BindingDB Entry DOI: 10.7270/Q2TH8MKB
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens (Human))
BDBM50280029
PNG
((2R,3R,4R,5S)-2-(1-Hydroxy-propyl)-piperidine-3,4,...)
Show SMILES CCC(O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C8H17NO4/c1-2-4(10)6-8(13)7(12)5(11)3-9-6/h4-13H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1
PDB

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Article
6.00E+4n/an/an/an/an/an/a6.0n/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on almonds beta Glucosidase at pH 5.0


Bioorg Med Chem Lett 2: 27-32 (1992)


Article DOI: 10.1016/S0960-894X(00)80648-4
BindingDB Entry DOI: 10.7270/Q2TH8MKB
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50280029
PNG
((2R,3R,4R,5S)-2-(1-Hydroxy-propyl)-piperidine-3,4,...)
Show SMILES CCC(O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C8H17NO4/c1-2-4(10)6-8(13)7(12)5(11)3-9-6/h4-13H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1
PDB
MMDB

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Article
6.30E+5n/an/an/an/an/an/a5.0n/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on almonds beta Glucosidase at pH 5.0


Bioorg Med Chem Lett 2: 27-32 (1992)


Article DOI: 10.1016/S0960-894X(00)80648-4
BindingDB Entry DOI: 10.7270/Q2TH8MKB
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens (Human))
BDBM50280029
PNG
((2R,3R,4R,5S)-2-(1-Hydroxy-propyl)-piperidine-3,4,...)
Show SMILES CCC(O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C8H17NO4/c1-2-4(10)6-8(13)7(12)5(11)3-9-6/h4-13H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1
PDB

Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Similars

Article
2.00E+6n/an/an/an/an/an/a7.0n/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 5.0


Bioorg Med Chem Lett 2: 27-32 (1992)


Article DOI: 10.1016/S0960-894X(00)80648-4
BindingDB Entry DOI: 10.7270/Q2TH8MKB
More data for this
Ligand-Target Pair