BDBM319586 US10174007, Example 5::US10787438, Example 5::US10988463, Example 5::US11634410, Example 5

SMILES C[C@H]1[C@H](O)CN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1

InChI Key InChIKey=BCRDBPWNFULPMK-LADJIXMOSA-N

Data  17 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 17 hits for monomerid = 319586   

TargetKetohexokinase(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM319586(US10174007, Example 5 | US10787438, Example 5 | US...)
Affinity DataIC50:  24.7nMAssay Description: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 prepared in DM...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKetohexokinase(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM319586(US10174007, Example 5 | US10787438, Example 5 | US...)
Affinity DataIC50:  95.5nMAssay 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
LigandPNGBDBM319586(US10174007, Example 5 | US10787438, Example 5 | US...)
Affinity DataIC50:  58.8nMAssay Description:A third KHK assay, referred to as Assay C, was performed at high fructose and ATP concentrations, conditions that would be more consistent with physi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKetohexokinase(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM319586(US10174007, Example 5 | US10787438, Example 5 | US...)
Affinity DataIC50:  95.5nMAssay Description:A fourth assay, referred to as Assay D, was performed using human KHK-A to assess the potency of compounds in inhibiting activity of this enzyme. Com...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKetohexokinase(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM319586(US10174007, Example 5 | US10787438, Example 5 | US...)
Affinity DataIC50:  24.7nMAssay 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
LigandPNGBDBM319586(US10174007, Example 5 | US10787438, Example 5 | US...)
Affinity DataIC50:  13.6nMAssay 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
LigandPNGBDBM319586(US10174007, Example 5 | US10787438, Example 5 | US...)
Affinity DataIC50:  58.8nMAssay 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
TargetIsoform A of Ketohexokinase (Peripheral)(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM319586(US10174007, Example 5 | US10787438, Example 5 | US...)
Affinity DataIC50:  95.5nMAssay 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
LigandPNGBDBM319586(US10174007, Example 5 | US10787438, Example 5 | US...)
Affinity DataIC50:  24.7nMAssay 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
LigandPNGBDBM319586(US10174007, Example 5 | US10787438, Example 5 | US...)
Affinity DataIC50:  13.6nMAssay 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
LigandPNGBDBM319586(US10174007, Example 5 | US10787438, Example 5 | US...)
Affinity DataIC50:  58.8nMAssay 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
TargetIsoform A of Ketohexokinase (Peripheral)(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM319586(US10174007, Example 5 | US10787438, Example 5 | US...)
Affinity DataIC50:  95.5nMAssay 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
LigandPNGBDBM319586(US10174007, Example 5 | US10787438, Example 5 | US...)
Affinity DataIC50:  14nMAssay Description:Inhibition of 1 nM recombinant human N-terminal His-tagged KHKC expressed in Escherichia coli BL21 (DE3) using fructose as substrate preincubated for...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetKetohexokinase(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM319586(US10174007, Example 5 | US10787438, Example 5 | US...)
Affinity DataIC50:  24.7nMAssay Description: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 prepared in DM...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKetohexokinase(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM319586(US10174007, Example 5 | US10787438, Example 5 | US...)
Affinity DataIC50:  13.6nMAssay Description: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 prepared ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKetohexokinase(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM319586(US10174007, Example 5 | US10787438, Example 5 | US...)
Affinity DataIC50:  58.8nMAssay Description:Assay C was performed at high fructose and ATP concentrations, conditions that would be more consistent with physiological concentrations of the natu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKetohexokinase(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM319586(US10174007, Example 5 | US10787438, Example 5 | US...)
Affinity DataIC50:  13.7nMAssay Description:Compounds having an IC50 value less than 20 nM were examined in a second KHK assay, referred to as Assay B, using 10-fold less enzyme and measuring a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent