BDBM50294475 (E)-4-(3,4-dimethoxyphenyl)-1-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)but-3-en-2-one::CHEMBL562109

SMILES COc1ccc(C=CC(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC

InChI Key InChIKey=BYMYPUFLNWHIHT-UHFFFAOYSA-N

Data  4 KI  1 IC50

  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 5 hits for monomerid = 50294475   

TargetCarbonic anhydrase 12(Human)
Universidad Nacional De La Plata

Curated by ChEMBL
LigandPNGBDBM50294475((E)-4-(3,4-dimethoxyphenyl)-1-((2S,3R,4R,5S,6R)-3,...)
Affinity DataKi:  73nMAssay Description:Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2016
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Universidad Nacional De La Plata

Curated by ChEMBL
LigandPNGBDBM50294475((E)-4-(3,4-dimethoxyphenyl)-1-((2S,3R,4R,5S,6R)-3,...)
Affinity DataKi:  438nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2016
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Universidad Nacional De La Plata

Curated by ChEMBL
LigandPNGBDBM50294475((E)-4-(3,4-dimethoxyphenyl)-1-((2S,3R,4R,5S,6R)-3,...)
Affinity DataKi:  840nMAssay Description:Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2016
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Universidad Nacional De La Plata

Curated by ChEMBL
LigandPNGBDBM50294475((E)-4-(3,4-dimethoxyphenyl)-1-((2S,3R,4R,5S,6R)-3,...)
Affinity DataKi:  6.51E+3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2016
Entry Details Article
PubMed
TargetLysosomal alpha-glucosidase(Rat)
Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM50294475((E)-4-(3,4-dimethoxyphenyl)-1-((2S,3R,4R,5S,6R)-3,...)
Affinity DataIC50: 5.15E+4nMAssay Description:Inhibition of rat intestinal alpha-glucosidaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed