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BDBM50168995 (-)-swainsonine::(1S,2R,8R,8aR)-Octahydro-indolizine-1,2,8-triol::1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL::CHEMBL371197::SWAINSONINE

SMILES: O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O

InChI Key: InChIKey=FXUAIOOAOAVCGD-WCTZXXKLSA-N

Data: 2 KI  6 IC50

PDB links: 5 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 7 hits for monomerid = 50168995   
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
Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B


(Drosophila melanogaster)
BDBM50168995
PNG
((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...)
Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O
Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
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Article
PubMed
3n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster GM2b by spectrophotometry


Eur J Med Chem 46: 944-52 (2011)

More data for this
Ligand-Target Pair
Golgi alpha-mannosidase II


(Drosophila melanogaster (Fruit fly))
BDBM50168995
PNG
((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...)
Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O
Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
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3 -11.6 37n/an/an/an/a5.7525



University of Toronto



Assay Description
Inhibition of dGMII was measured at pH 5.75. Determination of the IC50 values (concentrations of inhibitor at which 50% of activity remains) was car...


Chembiochem 11: 673-80 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B


(Drosophila melanogaster)
BDBM50168995
PNG
((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...)
Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O
Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster GM2b by spectrophotometry


Eur J Med Chem 46: 944-52 (2011)

More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens)
BDBM50168995
PNG
((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...)
Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O
Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human HCEC


Bioorg Med Chem 16: 7337-46 (2008)

More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens)
BDBM50168995
PNG
((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...)
Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O
Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
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PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human LNZ308 cells


Bioorg Med Chem 16: 7337-46 (2008)

More data for this
Ligand-Target Pair
Alpha-mannosidase


(Glycine max)
BDBM50168995
PNG
((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...)
Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O
Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
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PubMed
n/an/a 400n/an/an/an/an/an/a



Institute of Chemical Sciences and Engineering

Curated by ChEMBL


Assay Description
Concentration of compound inhibiting alpha-Mannosidase isolated from Jack bean


J Med Chem 48: 4237-46 (2005)

More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens)
BDBM50168995
PNG
((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...)
Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O
Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human LN18 cells


Bioorg Med Chem 16: 7337-46 (2008)

More data for this
Ligand-Target Pair