BDBM319585 US10174007, Example 4::US10787438, Example 4::US10988463, Example 4::US11634410, Example 4

SMILES C[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1

InChI Key InChIKey=MDUYWDNWFXSMJJ-XWLWVQCSSA-N

Data  1 KI  31 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 319585   

TargetKetohexokinase(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM319585(US10174007, Example 4 | US10787438, Example 4 | US...)
Affinity DataIC50:  37.3nMAssay 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
In DepthDetails US Patent
TargetKetohexokinase(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM319585(US10174007, Example 4 | US10787438, Example 4 | US...)
Affinity DataIC50:  66nMAssay 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
In DepthDetails US Patent
TargetKetohexokinase(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM319585(US10174007, Example 4 | US10787438, Example 4 | US...)
Affinity DataIC50:  14.2nMAssay 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
In DepthDetails US Patent
TargetKetohexokinase(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM319585(US10174007, Example 4 | US10787438, Example 4 | US...)
Affinity DataIC50:  8.40nMAssay 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
In DepthDetails US Patent