BDBM494881 US10988463, Example 40::[(1R,5S,6R)-3-{5-chloro-6-(difluoromethyl)-2-[(2S)-2-methylazetidin-1-yl]pyrimidin-4-yl}-3-azabicyclo[3.1.0]hex-6-yl]acetic acid

SMILES C[C@H]1CCN1c1nc(C(F)F)c(Cl)c(n1)N1CC2C(CC(O)=O)C2C1

InChI Key InChIKey=AFUXAZPXNHXKOK-KJTVYLTBSA-N

Data  3 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 3 hits for monomerid = 494881   

TargetKetohexokinase(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM494881(US10988463, Example 40 | [(1R,5S,6R)-3-{5-chloro-6...)
Affinity DataIC50:  11.1nMAssay 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
LigandPNGBDBM494881(US10988463, Example 40 | [(1R,5S,6R)-3-{5-chloro-6...)
Affinity DataIC50:  11.1nMAssay 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
LigandPNGBDBM494881(US10988463, Example 40 | [(1R,5S,6R)-3-{5-chloro-6...)
Affinity DataIC50:  3.70nMAssay 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