BDBM50303445 CHEMBL567563::Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3-(benzo[b]thiophen-2-yl)methoxycyclohexan-1-carboxylate

SMILES O[C@@H]1C[C@@](O)(C=C(OCc2cc3ccccc3s2)[C@H]1O)C([O-])=O

InChI Key InChIKey=SLWSCMYOLNIMDK-UHFFFAOYSA-M

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50303445   

Target3-dehydroquinate dehydratase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Universidad De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50303445(Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3-(benzo[b]thiop...)
Affinity DataKi:  28nMAssay Description:Competitive inhibition of Mycobacterium tuberculosis DHQ2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target3-dehydroquinate dehydratase(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
Universidad De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50303445(Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3-(benzo[b]thiop...)
Affinity DataKi:  132nMAssay Description:Inhibition of Helicobacter pylori DHQ2 by UV spectroscopyMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed