BDBM464138 US10787438, Example 50::[(1R,5S,6R)-3-{5-cyano-4-(1,1-difluoroethyl)-3-fluoro-6-[(2S, 3R)-3-hydroxy-2-methylazetidin-1-yl]pyridin-2-yl}-3-azabicyclo[3.1.0]hex-6- yl]acetic acid

SMILES C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)c(F)c(C(F)F)c1C#N

InChI Key InChIKey=UKUWPHQKFYIUPT-QATXWYEKSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 464138   

TargetKetohexokinase(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM464138(US10787438, Example 50 | [(1R,5S,6R)-3-{5-cyano-4-...)
Affinity DataIC50:  4.40nMAssay 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
LigandPNGBDBM464138(US10787438, Example 50 | [(1R,5S,6R)-3-{5-cyano-4-...)
Affinity DataIC50:  2.60nMAssay 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
TargetKetohexokinase(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM464138(US10787438, Example 50 | [(1R,5S,6R)-3-{5-cyano-4-...)
Affinity DataIC50:  1.5nMAssay 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