BDBM197318 SAMPL5, CBC-G5

SMILES CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C

InChI Key InChIKey=DPKHZNPWBDQZCN-UHFFFAOYSA-O

Data  1 Kd  1 ITC

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 197318   

Host:PNGBDBM197310(SAMPL5, CBClip)
University Of California San Diego

LigandPNGBDBM197318(SAMPL5, CBC-G5)
Affinity DataKd:  556nMpH: 7.4 T: 2°CAssay Description:The experimental studies were carried out in 20 mM sodium phosphate buffer at pH7.4, at a temperature of 298 K.More data for this Ligand-Host Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 197318   

HostPNGBDBM197310(SAMPL5, CBClip)
University Of California San Diego

GuestPNGBDBM197318(SAMPL5, CBC-G5)
ITC DataΔG°: -8.53kcal/mole logk: 1.80E+6
pH: 7.4 T: 24.85°C 
In DepthDetails ArticlePubMed