BDBM36145 cis-4-Methylcyclohexanol

SMILES C[C@H]1CC[C@@H](O)CC1

InChI Key InChIKey=MQWCXKGKQLNYQG-KNVOCYPGSA-N

Data  5 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 5 hits for monomerid = 36145   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Nih

GuestPNGBDBM36145(cis-4-Methylcyclohexanol)
ITC DataΔG°: -4.26kcal/mole −TΔS°: -2.91kcal/mole ΔH°: -1.34kcal/mole logk: 1.71E+3
pH: 6.9 T: 14.50°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nih

GuestPNGBDBM36145(cis-4-Methylcyclohexanol)
ITC DataΔG°: -4.32kcal/mole −TΔS°: -2.03kcal/mole ΔH°: -2.30kcal/mole logk: 1.47E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nih

GuestPNGBDBM36145(cis-4-Methylcyclohexanol)
ITC DataΔG°: -4.41kcal/mole −TΔS°: -1.30kcal/mole ΔH°: -3.12kcal/mole logk: 1.33E+3
pH: 6.9 T: 35.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nih

GuestPNGBDBM36145(cis-4-Methylcyclohexanol)
ITC DataΔG°: -4.42kcal/mole −TΔS°: -0.410kcal/mole ΔH°: -4.01kcal/mole logk: 1.08E+3
pH: 6.9 T: 45.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nih

GuestPNGBDBM36145(cis-4-Methylcyclohexanol)
ITC DataΔG°: -4.32kcal/mole −TΔS°: -2.04kcal/mole ΔH°: -2.27kcal/mole logk: 1.46E+3
pH: 6.9 T: 25.00°C 
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