BDBM50170812 (1R,4R,5R)-1,4,5-Trihydroxy-cyclohex-2-enecarboxylic acid::2,3 -ANHYDRO-QUINIC ACID::2,3-anhydroquinic acid::CHEMBL190265

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

InChI Key InChIKey=VTEDVYGIJPLVFF-UHFFFAOYSA-N

Data  1 KI  3 Kd

  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 4 hits for monomerid = 50170812   

Target3-dehydroquinate dehydratase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University of Glasgow

Curated by ChEMBL
LigandPNGBDBM50170812((1R,4R,5R)-1,4,5-Trihydroxy-cyclohex-2-enecarboxyl...)
Affinity DataKd:  2.00E+5nMAssay Description:Binding affinity for Mycobacterium tuberculosis DHQase 2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target3-dehydroquinate dehydratase(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
University of Glasgow

Curated by ChEMBL
LigandPNGBDBM50170812((1R,4R,5R)-1,4,5-Trihydroxy-cyclohex-2-enecarboxyl...)
Affinity DataKd:  3.70E+5nMAssay Description:Binding affinity for Helicobacter pylori DHQase 2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target3-dehydroquinate dehydratase(Streptomyces coelicolor)
University of Glasgow

Curated by ChEMBL
LigandPNGBDBM50170812((1R,4R,5R)-1,4,5-Trihydroxy-cyclohex-2-enecarboxyl...)
Affinity DataKd:  3.00E+4nMAssay Description:Binding affinity for Streptomyces coelicolor DHQase 2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target3-dehydroquinate dehydratase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University of Glasgow

Curated by ChEMBL
LigandPNGBDBM50170812((1R,4R,5R)-1,4,5-Trihydroxy-cyclohex-2-enecarboxyl...)
Affinity DataKi:  2.00E+5nMpH: 8.2Assay Description:Inhibition of Mycobacterium tuberculosis type II dehydroquinase at 25 degree C pH 8.2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed