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BDBM50316180 (1S,2R,3S,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate::(2S,3S,4R,5S,6S)-1-((2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydro-1H-thiophenium-1-yl)-2,4,5,6,7-pentahydroxyheptan-3-yl sulfate::CHEMBL1093524

SMILES: OC[C@H](O)[C@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO

InChI Key: InChIKey=OMKXVFDVAGCPBS-RAPQXRGMSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50316180   
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
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50316180
PNG
((1S,2R,3S,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-...)
Show SMILES OC[C@H](O)[C@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C12H24O12S2/c13-1-5(15)10(19)11(20)12(24-26(21,22)23)7(17)4-25-3-6(16)9(18)8(25)2-14/h5-20H,1-4H2/t5-,6+,7+,8+,9-,10-,11+,12+,25?/m0/s1
PDB

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PC sid
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Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human maltase glucoamylase N-terminal catalytic domain


Bioorg Med Chem 18: 2829-35 (2010)


Article DOI: 10.1016/j.bmc.2010.03.027
BindingDB Entry DOI: 10.7270/Q22B8Z5J
More data for this
Ligand-Target Pair