BDBM197317 SAMPL5, CBC-G4

SMILES c1cc(cc2c1cc3ccc(cc3[nH+]2)N)N

InChI Key InChIKey=WDVSHHCDHLJJJR-UHFFFAOYSA-O

Data  1 Kd  1 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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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
Host Info
In Depth
Date in BDB:
10/24/2016
Entry Details Article
PubMed

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 Article
PubMed