BDBM197322 SAMPL5, CBC-G9

SMILES Cc1cc2nc3ccc(cc3[nH]c2cc1N)=[N+](C)C

InChI Key InChIKey=KPTCDDDZAJVXHD-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 = 197322   

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

LigandPNGBDBM197322(SAMPL5, CBC-G9)
Affinity DataKd:  3.85E+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
Host Info
In DepthDetails Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 197322   

HostPNGBDBM197310(SAMPL5, CBClip)
University of California San Diego

GuestPNGBDBM197322(SAMPL5, CBC-G9)
ITC DataΔG°: -7.38kcal/mole logk: 2.60E+5
pH: 7.4 T: 24.85°C 
In DepthDetails Article
PubMed