BDBM472701 (R)-3,3,3-Trifluoro-2-hydroxy-2-methyl-1-(7-methyl-2-phenyl-2,4,6,7-tetra-hydro-pyrazolo[4,3-c]pyridin-5-yl)-propan-1-one::US10829489, Compound A17::US11261185, Example 17

SMILES CC1CN(Cc2cn(nc12)-c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F

InChI Key InChIKey=TXEGAXWFAZLPIO-WVQRXBFSSA-N

Data  2 IC50  1 Kd

  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 = 472701   

LigandPNGBDBM472701((R)-3,3,3-Trifluoro-2-hydroxy-2-methyl-1-(7-methyl...)
Affinity DataIC50:  1.65E+3nMAssay Description:The PDC inactivation assay is performed in Greiner 384-well microtiter plates and is used for high throughput screen. 4 μl of PDHK2 (human, rec,...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
LigandPNGBDBM472701((R)-3,3,3-Trifluoro-2-hydroxy-2-methyl-1-(7-methyl...)
Affinity DataIC50:  1.65E+3nMAssay Description:The biochemical activity assay for PDHK2 is based on the inactivation of PDC through phosphorylation by PDHK2. The assay is run in two steps: the enz...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
LigandPNGBDBM472701((R)-3,3,3-Trifluoro-2-hydroxy-2-methyl-1-(7-methyl...)
Affinity DataKd:  1.65E+3nMAssay Description:ITC measurements were performed with a VP-ITC micro calorimeter (Microcal, LLC/GE Healthcare Bio-Sciences AB, Uppsala, Sweden). In general titrations...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent