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-DIOULYMOSA-M

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50303445   

Target3-dehydroquinate dehydratase(Mycobacterium tuberculosis)
Universidad De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50303445(CHEMBL567563 | Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3...)
Affinity DataKi:  28nMAssay Description:Competitive inhibition of Mycobacterium tuberculosis DHQ2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-dehydroquinate dehydratase(Helicobacter pylori)
Universidad De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50303445(CHEMBL567563 | Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3...)
Affinity DataKi:  132nMAssay Description:Inhibition of Helicobacter pylori DHQ2 by UV spectroscopyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed