BDBM197313 SAMPL5, OA-G5

SMILES C[N+](C)(C)CCc1ccccc1

InChI Key InChIKey=XYUGFPLAOGMREF-UHFFFAOYSA-N

Data  2 Kd  2 ITC

  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 2 hits for monomerid = 197313   

Host:PNGBDBM197309(SAMPL5, OAMe | SAMPL5, TEMOA)
University Of California San Diego

LigandPNGBDBM197313(SAMPL5, OA-G5)
Affinity DataKd:  1.37E+6nMpH: 11.5 T: 2°CAssay Description:The NMR experiments were carried out in 10 mM sodium phosphate buffer at a pH of 11.3, while the ITC experiments were performed in 50 mM sodium phosp...More data for this Ligand-Host Pair
Host InfoPC cidPC sid
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
Host:PNGBDBM197287(SAMPL4, OA)
University Of California San Diego

LigandPNGBDBM197313(SAMPL5, OA-G5)
Affinity DataKd:  5.01E+5nMpH: 11.5 T: 2°CAssay Description:The NMR experiments were carried out in 10 mM sodium phosphate buffer at a pH of 11.3, while the ITC experiments were performed in 50 mM sodium phosp...More data for this Ligand-Host Pair
Host InfoPC cidPC sid
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 197313   

HostPNGBDBM197287(SAMPL4, OA)
University Of California San Diego

GuestPNGBDBM197313(SAMPL5, OA-G5)
ITC DataΔG°: -4.49kcal/mole logk: 2.00E+3
pH: 11.3 T: 24.85°C 
Cell InfoPC cidPC sid
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed
HostPNGBDBM197309(SAMPL5, OAMe | SAMPL5, TEMOA)
University Of California San Diego

GuestPNGBDBM197313(SAMPL5, OA-G5)
ITC DataΔG°: -3.89kcal/mole logk: 729
pH: 11.3 T: 24.85°C 
Cell InfoPC cidPC sid
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed