BDBM197286 SAMPL3, G9

SMILES CCCc1n(C)c2cc3[n+](C)c(CCC)n(C)c3cc2[n+]1C

InChI Key InChIKey=XWNJXQMUHDKSRD-UHFFFAOYSA-N

Data  2 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 -- ITC Data from BindingDB

Found 2 hits for monomerid = 197286   

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

GuestPNGBDBM197286(SAMPL3, G9)
ITC DataΔG°: -7.43kcal/mole −TΔS°: -3.58kcal/mole ΔH°: -3.82kcal/mole logk: 2.60E+5
pH: 7.0 T: 26.85°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of California San Diego

GuestPNGBDBM197286(SAMPL3, G9)
ITC DataΔG°: -8.98kcal/mole −TΔS°: -4.80kcal/mole ΔH°: -4.30kcal/mole logk: 3.60E+6
pH: 7.0 T: 26.85°C