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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 277.4
BDBM50291031

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50291031
PNG
((2R,3R,4R,5S)-2-Hydroxymethyl-1-(3-trimethylsilany...)
Show SMILES C[Si](C)(C)CCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C12H27NO4Si/c1-18(2,3)6-4-5-13-7-10(15)12(17)11(16)9(13)8-14/h9-12,14-17H,4-8H2,1-3H3/t9-,10+,11-,12-/m1/s1
UniProtKB/SwissProt

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PC sid
UniChem

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Article
8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition constant against rat small intestinal sucrase


Bioorg Med Chem Lett 7: 355-360 (1997)


Article DOI: 10.1016/S0960-894X(97)00012-7
BindingDB Entry DOI: 10.7270/Q2F18ZQ1
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50291031
PNG
((2R,3R,4R,5S)-2-Hydroxymethyl-1-(3-trimethylsilany...)
Show SMILES C[Si](C)(C)CCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C12H27NO4Si/c1-18(2,3)6-4-5-13-7-10(15)12(17)11(16)9(13)8-14/h9-12,14-17H,4-8H2,1-3H3/t9-,10+,11-,12-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition constant against rat small intestinal isomaltase


Bioorg Med Chem Lett 7: 355-360 (1997)


Article DOI: 10.1016/S0960-894X(97)00012-7
BindingDB Entry DOI: 10.7270/Q2F18ZQ1
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50291031
PNG
((2R,3R,4R,5S)-2-Hydroxymethyl-1-(3-trimethylsilany...)
Show SMILES C[Si](C)(C)CCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C12H27NO4Si/c1-18(2,3)6-4-5-13-7-10(15)12(17)11(16)9(13)8-14/h9-12,14-17H,4-8H2,1-3H3/t9-,10+,11-,12-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition constant against rat small intestinal glucoamylase


Bioorg Med Chem Lett 7: 355-360 (1997)


Article DOI: 10.1016/S0960-894X(97)00012-7
BindingDB Entry DOI: 10.7270/Q2F18ZQ1
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50291031
PNG
((2R,3R,4R,5S)-2-Hydroxymethyl-1-(3-trimethylsilany...)
Show SMILES C[Si](C)(C)CCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C12H27NO4Si/c1-18(2,3)6-4-5-13-7-10(15)12(17)11(16)9(13)8-14/h9-12,14-17H,4-8H2,1-3H3/t9-,10+,11-,12-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition constant against rat small intestinal isomaltase


Bioorg Med Chem Lett 7: 355-360 (1997)


Article DOI: 10.1016/S0960-894X(97)00012-7
BindingDB Entry DOI: 10.7270/Q2F18ZQ1
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50291031
PNG
((2R,3R,4R,5S)-2-Hydroxymethyl-1-(3-trimethylsilany...)
Show SMILES C[Si](C)(C)CCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C12H27NO4Si/c1-18(2,3)6-4-5-13-7-10(15)12(17)11(16)9(13)8-14/h9-12,14-17H,4-8H2,1-3H3/t9-,10+,11-,12-/m1/s1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition constant against human lysosomal alpha-glucosidase


Bioorg Med Chem Lett 7: 355-360 (1997)


Article DOI: 10.1016/S0960-894X(97)00012-7
BindingDB Entry DOI: 10.7270/Q2F18ZQ1
More data for this
Ligand-Target Pair