BDBM3911 2-(2-hydroxyphenoxy)-5-methylphenol::5-methyl-2-(2-hydroxyphenoxy)phenol::PD200828

SMILES Cc1ccc(Oc2ccccc2O)c(O)c1

InChI Key InChIKey=MZIJGDJZBODVDZ-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 = 3911   

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

SyringePNGBDBM3911(2-(2-hydroxyphenoxy)-5-methylphenol | 5-methyl-2-(...)
ITC DataΔG°: -11.1kcal/mole −TΔS°: 6.24kcal/mole ΔH°: -17.4kcal/mole logk: 2.00E+8
pH: 7.5 T: 20.00°C 
CellEnoyl-ACP Reductase (FabI)(Escherichia coli)
University Of Alabama At Birmingham

SyringePNGBDBM3911(2-(2-hydroxyphenoxy)-5-methylphenol | 5-methyl-2-(...)
ITC DataΔG°: -10.9kcal/mole −TΔS°: 8.46kcal/mole ΔH°: -19.4kcal/mole logk: 1.00E+8
pH: 7.5 T: 25.00°C 
CellEnoyl-ACP Reductase (FabI)(Escherichia coli)
University Of Alabama At Birmingham

SyringePNGBDBM3911(2-(2-hydroxyphenoxy)-5-methylphenol | 5-methyl-2-(...)
ITC DataΔG°: -11.1kcal/mole −TΔS°: 14.3kcal/mole ΔH°: -25.4kcal/mole logk: 8.30E+7
pH: 7.5 T: 30.00°C 
CellEnoyl-ACP Reductase (FabI) Mutant (F203L)(Escherichia coli)
University Of Alabama At Birmingham

SyringePNGBDBM3911(2-(2-hydroxyphenoxy)-5-methylphenol | 5-methyl-2-(...)
ITC DataΔG°: -8.69kcal/mole −TΔS°: 5.50kcal/mole ΔH°: -14.2kcal/mole logk: 4.20E+8
pH: 7.5 T: 15.00°C 
CellEnoyl-ACP Reductase (FabI) Mutant (F203L)(Escherichia coli)
University Of Alabama At Birmingham

SyringePNGBDBM3911(2-(2-hydroxyphenoxy)-5-methylphenol | 5-methyl-2-(...)
ITC DataΔG°: -8.19kcal/mole −TΔS°: 6.77kcal/mole ΔH°: -14.9kcal/mole logk: 1.30E+9
pH: 7.5 T: 20.00°C 
CellEnoyl-ACP Reductase (FabI) Mutant (F203L)(Escherichia coli)
University Of Alabama At Birmingham

SyringePNGBDBM3911(2-(2-hydroxyphenoxy)-5-methylphenol | 5-methyl-2-(...)
ITC DataΔG°: -8.38kcal/mole −TΔS°: 9.12kcal/mole ΔH°: -17.5kcal/mole logk: 1.35E+9
pH: 7.5 T: 25.00°C