BDBM426331 US10526325, Compound A8::US10829489, Compound A8::US11261185, Example 8

SMILES CC(C)(C)n1cc2CN(CCc2n1)C(=O)[C@@](C)(O)C(F)(F)F

InChI Key InChIKey=OOWJNUMBHSGOOB-CYBMUJFWSA-N

Data  3 IC50  2 Kd

  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 5 hits for monomerid = 426331   

LigandPNGBDBM426331(US10526325, Compound A8 | US10829489, Compound A8 ...)
Affinity DataIC50:  1.65E+3nMAssay Description:ITC measurements were performed with a VP-ITC micro calorimeter. In general titrations were performed by titrating the protein (50 μM) to the te...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
LigandPNGBDBM426331(US10526325, Compound A8 | US10829489, Compound A8 ...)
Affinity DataKd:  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
LigandPNGBDBM426331(US10526325, Compound A8 | US10829489, Compound A8 ...)
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
LigandPNGBDBM426331(US10526325, Compound A8 | US10829489, Compound A8 ...)
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
LigandPNGBDBM426331(US10526325, Compound A8 | US10829489, Compound A8 ...)
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