BDBM197321 SAMPL5, CBC-G8

SMILES [#6]-[#6]-[#7](-[#6]-[#6])-c1ccc(cc1)-[#6](=[#6]-1/[#6]=[#6]\[#6](\[#6]=[#6]-1)=[#7+](/[#6]-[#6])-[#6]-[#6])\c1ccccc1

InChI Key InChIKey=RNUYBTMUPIYXHZ-UHFFFAOYSA-N

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 = 197321   

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

LigandPNGBDBM197321(SAMPL5, CBC-G8)
Affinity DataKd:  3.03E+4nMpH: 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 = 197321   

HostPNGBDBM197310(SAMPL5, CBClip)
University of California San Diego

GuestPNGBDBM197321(SAMPL5, CBC-G8)
ITC DataΔG°: -6.16kcal/mole logk: 3.30E+4
pH: 7.4 T: 24.85°C 
In DepthDetails Article
PubMed