BDBM50303446 CHEMBL576247::Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3-[(benzo[b]tiophen-5-yl)methoxy]cyclohex-2-en-1-carboxylate

SMILES O[C@@H]1C[C@@](O)(C=C(OCc2ccc3sccc3c2)[C@H]1O)C([O-])=O

InChI Key InChIKey=YCLJFMJKTPJICS-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 = 50303446   

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

Curated by ChEMBL
LigandPNGBDBM50303446(CHEMBL576247 | Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3...)
Affinity DataKi:  31nMAssay 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
LigandPNGBDBM50303446(CHEMBL576247 | Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3...)
Affinity DataKi:  166nMAssay Description:Inhibition of Helicobacter pylori DHQ2 by UV spectroscopyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed