BDBM494880 US10988463, Example 24::[(1R,5S,6R)-3-{2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-5-methyl-6-(trifluoromethyl)pyrimidin-4-yl}-3-azabicyclo[3.1.0]hex-6-yl]acetic acid

SMILES C[C@H]1[C@H](O)CN1c1nc(c(C)c(n1)C12CNCC1C2CC(O)=O)C(F)(F)F

InChI Key InChIKey=FIDCOOGXAYYGDL-WRCLSMMLSA-N

Data  5 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 = 494880   

TargetKetohexokinase(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM494880(US10988463, Example 24 | [(1R,5S,6R)-3-{2-[(2S,3R)...)
Affinity DataIC50:  9.70nMAssay Description:Assay A, a 384-well format on a Corning 3653 assay plate is used, and monitored by UV-vis spectroscopy in continuous mode at rt. Compounds were prepa...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKetohexokinase(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM494880(US10988463, Example 24 | [(1R,5S,6R)-3-{2-[(2S,3R)...)
Affinity DataIC50:  3.30nMAssay Description:Assay B, using 10-fold less enzyme and measuring absorbance for 3 hours to obtain IC50 values below the 10 nM lower limit of Assay A. Compounds were ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKetohexokinase(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM494880(US10988463, Example 24 | [(1R,5S,6R)-3-{2-[(2S,3R)...)
Affinity DataIC50:  9.70nMAssay Description:Assay A, a 384-well format on a Corning 3653 assay plate is used, and monitored by UV-vis spectroscopy in continuous mode at rt. Compounds were prepa...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsoform A of Ketohexokinase (Peripheral)(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM494880(US10988463, Example 24 | [(1R,5S,6R)-3-{2-[(2S,3R)...)
Affinity DataIC50:  12.1nMAssay Description:Assay D, was performed using human KHK-A to assess the potency of compounds in inhibiting activity of this enzyme. Compounds were prepared in DMSO as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKetohexokinase(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM494880(US10988463, Example 24 | [(1R,5S,6R)-3-{2-[(2S,3R)...)
Affinity DataIC50:  11nMAssay Description:Assay C, was performed at high fructose and ATP concentrations, conditions that would be more consistent with physiological concentrations of the nat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent