BDBM197288 SAMPL4, C1::SAMPL5, CBC-G1

SMILES [NH3+]Cc1ccc(C[NH3+])cc1

InChI Key InChIKey=ISKQADXMHQSTHK-UHFFFAOYSA-P

Data  1 Kd  2 ITC

  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 = 197288   

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

LigandPNGBDBM197288(SAMPL4, C1 | SAMPL5, CBC-G1)
Affinity DataKd:  5.26E+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
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 197288   

HostPNGBDBM36281(BDBM197279 | cucurbit[7]uril)
University Of California San Diego

GuestPNGBDBM197288(SAMPL4, C1 | SAMPL5, CBC-G1)
ITC DataΔG°: -9.79kcal/mole logk: 1.70E+7
pH: 7.4 T: 24.85°C 
HostPNGBDBM197310(SAMPL5, CBClip)
University Of California San Diego

GuestPNGBDBM197288(SAMPL4, C1 | SAMPL5, CBC-G1)
ITC DataΔG°: -5.83kcal/mole logk: 1.90E+4
pH: 7.4 T: 24.85°C 
In DepthDetails ArticlePubMed