BDBM3913 2-(2-hydroxyphenoxy)-5-propylphenol::5-propyl-2-(2-hydroxyphenoxy)phenol::PD205405

SMILES CCCc1ccc(Oc2ccccc2O)c(O)c1

InChI Key InChIKey=BMJCPKXFEMWDDF-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 3913   

CellEnoyl-ACP Reductase (FabI)(Escherichia coli)
University Of Alabama At Birmingham

SyringePNGBDBM3913(2-(2-hydroxyphenoxy)-5-propylphenol | 5-propyl-2-(...)
ITC DataΔG°: -11.7kcal/mole −TΔS°: 4.73kcal/mole ΔH°: -16.4kcal/mole logk: 7.10E+8
pH: 7.5 T: 25.00°C 
CellEnoyl-ACP Reductase (FabI)(Escherichia coli)
University Of Alabama At Birmingham

SyringePNGBDBM3913(2-(2-hydroxyphenoxy)-5-propylphenol | 5-propyl-2-(...)
ITC DataΔG°: -11.0kcal/mole −TΔS°: 8.50kcal/mole ΔH°: -19.5kcal/mole logk: 1.04E+8
pH: 7.5 T: 27.50°C 
CellEnoyl-ACP Reductase (FabI)(Escherichia coli)
University Of Alabama At Birmingham

SyringePNGBDBM3913(2-(2-hydroxyphenoxy)-5-propylphenol | 5-propyl-2-(...)
ITC DataΔG°: -11.7kcal/mole −TΔS°: 10.6kcal/mole ΔH°: -22.3kcal/mole logk: 2.50E+8
pH: 7.5 T: 30.00°C 
CellEnoyl-ACP Reductase (FabI) Mutant (F203L)(Escherichia coli)
University Of Alabama At Birmingham

SyringePNGBDBM3913(2-(2-hydroxyphenoxy)-5-propylphenol | 5-propyl-2-(...)
ITC DataΔG°: -9.22kcal/mole −TΔS°: 2.37kcal/mole ΔH°: -11.6kcal/mole logk: 7.69E+9
pH: 7.5 T: 20.00°C 
CellEnoyl-ACP Reductase (FabI) Mutant (F203L)(Escherichia coli)
University Of Alabama At Birmingham

SyringePNGBDBM3913(2-(2-hydroxyphenoxy)-5-propylphenol | 5-propyl-2-(...)
ITC DataΔG°: -8.46kcal/mole −TΔS°: 7.33kcal/mole ΔH°: -15.8kcal/mole logk: 1.54E+9
pH: 7.5 T: 25.00°C 
CellEnoyl-ACP Reductase (FabI) Mutant (F203L)(Escherichia coli)
University Of Alabama At Birmingham

SyringePNGBDBM3913(2-(2-hydroxyphenoxy)-5-propylphenol | 5-propyl-2-(...)
ITC DataΔG°: -9.00kcal/mole −TΔS°: -2.22kcal/mole ΔH°: -6.78kcal/mole logk: 7.14E+9
pH: 7.5 T: 15.00°C