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BDBM50327504 1,4-Dideoxy-1,4-[[2S,3S,4R,5S]-2,4,5,6-tetrahydroxy-3-(methyl)hexyl]-(R)-epi-sulfoniumylidine]-D-arabinitol chloride::CHEMBL1258644

SMILES: CO[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO

InChI Key: InChIKey=ZFLJGAPPQIUCTG-DUJHBOIWSA-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 = 50327504   
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
Sucrase-isomaltase


(Homo sapiens (Human))
BDBM50327504
PNG
(1,4-Dideoxy-1,4-[[2S,3S,4R,5S]-2,4,5,6-tetrahydrox...)
Show SMILES CO[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO |r|
Show InChI InChI=1S/C12H25O8S/c1-20-12(11(19)6(15)2-13)8(17)5-21-4-7(16)10(18)9(21)3-14/h6-19H,2-5H2,1H3/q+1/t6-,7+,8+,9+,10-,11+,12+,21-/m0/s1
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Article
PubMed
7n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal Sucrase-isomaltase by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 6491-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.069
BindingDB Entry DOI: 10.7270/Q2Q81DHZ
More data for this
Ligand-Target Pair
Sucrase-isomaltase


(Homo sapiens (Human))
BDBM50327504
PNG
(1,4-Dideoxy-1,4-[[2S,3S,4R,5S]-2,4,5,6-tetrahydrox...)
Show SMILES CO[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO |r|
Show InChI InChI=1S/C12H25O8S/c1-20-12(11(19)6(15)2-13)8(17)5-21-4-7(16)10(18)9(21)3-14/h6-19H,2-5H2,1H3/q+1/t6-,7+,8+,9+,10-,11+,12+,21-/m0/s1
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Article
PubMed
35n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal Sucrase-isomaltase by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 6491-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.069
BindingDB Entry DOI: 10.7270/Q2Q81DHZ
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50327504
PNG
(1,4-Dideoxy-1,4-[[2S,3S,4R,5S]-2,4,5,6-tetrahydrox...)
Show SMILES CO[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO |r|
Show InChI InChI=1S/C12H25O8S/c1-20-12(11(19)6(15)2-13)8(17)5-21-4-7(16)10(18)9(21)3-14/h6-19H,2-5H2,1H3/q+1/t6-,7+,8+,9+,10-,11+,12+,21-/m0/s1
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antibodypedia
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Article
PubMed
500n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal maltase-glucoamylase


Bioorg Med Chem Lett 21: 6491-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.069
BindingDB Entry DOI: 10.7270/Q2Q81DHZ
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50327504
PNG
(1,4-Dideoxy-1,4-[[2S,3S,4R,5S]-2,4,5,6-tetrahydrox...)
Show SMILES CO[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO |r|
Show InChI InChI=1S/C12H25O8S/c1-20-12(11(19)6(15)2-13)8(17)5-21-4-7(16)10(18)9(21)3-14/h6-19H,2-5H2,1H3/q+1/t6-,7+,8+,9+,10-,11+,12+,21-/m0/s1
PDB

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
500n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal maltase-glucoamylase by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 6491-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.069
BindingDB Entry DOI: 10.7270/Q2Q81DHZ
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50327504
PNG
(1,4-Dideoxy-1,4-[[2S,3S,4R,5S]-2,4,5,6-tetrahydrox...)
Show SMILES CO[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO |r|
Show InChI InChI=1S/C12H25O8S/c1-20-12(11(19)6(15)2-13)8(17)5-21-4-7(16)10(18)9(21)3-14/h6-19H,2-5H2,1H3/q+1/t6-,7+,8+,9+,10-,11+,12+,21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
500n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal domain of maltase-glucoamylase after 60 mins by glucose oxidase assay


Bioorg Med Chem Lett 20: 5686-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.020
BindingDB Entry DOI: 10.7270/Q2WQ0411
More data for this
Ligand-Target Pair