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BDBM50075408 5-(hydroxymethyl)piperidine-3,4-diol::CHEMBL345129::Isofagomine derivative, 3

SMILES: OCC1CNCC(O)C1O

InChI Key: InChIKey=QPYJXFZUIJOGNX-UHFFFAOYSA-N

Data: 2 KI

PDB links: 21 PDB IDs match 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 = 50075408   
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
Glucosylceramidase


(Homo sapiens (human))
BDBM50075408
PNG
(5-(hydroxymethyl)piperidine-3,4-diol | CHEMBL34512...)
Show SMILES OCC1CNCC(O)C1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2
PDB
MMDB

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B.MOAD
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CHEMBL
PC cid
PC sid
PDB
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Patents


Similars

PDB
Article
PubMed
23n/an/an/an/an/an/a5.5n/a



University of British Columbia



Assay Description
Fluorescene-based assay using beta-glucocerebrosidase.


Chembiochem 12: 2151-4 (2011)


Article DOI: 10.1002/cbic.201100332
BindingDB Entry DOI: 10.7270/Q2WD3Z3W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucosylceramidase


(Homo sapiens (human))
BDBM50075408
PNG
(5-(hydroxymethyl)piperidine-3,4-diol | CHEMBL34512...)
Show SMILES OCC1CNCC(O)C1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PDB
Article
PubMed
5n/an/an/an/an/an/a7.0n/a



University of British Columbia



Assay Description
Fluorescene-based assay using beta-glucocerebrosidase.


Chembiochem 12: 2151-4 (2011)


Article DOI: 10.1002/cbic.201100332
BindingDB Entry DOI: 10.7270/Q2WD3Z3W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)