BDBM197317 SAMPL5, CBC-G4

SMILES Nc1ccc2cc3ccc(N)cc3[nH+]c2c1

InChI Key InChIKey=WDVSHHCDHLJJJR-UHFFFAOYSA-O

Data  1 Kd  1 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 1 hit for monomerid = 197317   

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

LigandPNGBDBM197317(SAMPL5, CBC-G4)
Affinity DataKd:  5.00E+3nMpH: 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 = 197317   

HostPNGBDBM197310(SAMPL5, CBClip)
University Of California San Diego

GuestPNGBDBM197317(SAMPL5, CBC-G4)
ITC DataΔG°: -7.24kcal/mole logk: 2.00E+5
pH: 7.4 T: 24.85°C 
In DepthDetails ArticlePubMed