BDBM23446 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one::CHEMBL45068::Phloretin::cid_4788

SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1

InChI Key InChIKey=VGEREEWJJVICBM-UHFFFAOYSA-N

Data  2 KI  11 IC50  1 Kd  1 EC50  6 ITC

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23446   

TargetTransthyretin(Homo sapiens (Human))
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM23446(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
Affinity DataKd:  8.10E+3nMAssay Description:Stabilization of TTR V30M mutant (unknown origin) assessed as inhibition of protein-mediated amyloid fibril formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 6 hits for monomerid = 23446   

CellTranscriptional Regulator TtgR(Pseudomonas putida)
Imperial College

SyringePNGBDBM23446(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
ITC DataΔG°: -10.2kcal/mole −TΔS°: 4.89kcal/mole ΔH°: -15.1kcal/mole logk: 2.10E+7
pH: 7.0 T: 30.00°C 
CellTranscriptional Regulator TtgR(Pseudomonas putida)
Imperial College

SyringePNGBDBM23446(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
ITC DataΔG°: -8.29kcal/mole −TΔS°: 8.70kcal/mole ΔH°: -17.0kcal/mole logk: 9.75E+5
pH: 7.0 T: 30.00°C 
CellTranscriptional Regulator TtgR Mutant R176G(Pseudomonas putida)
Imperial College

SyringePNGBDBM23446(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
ITC DataΔG°: -6.99kcal/mole −TΔS°: 14.6kcal/mole ΔH°: -21.6kcal/mole logk: 1.09E+5
pH: 7.0 T: 30.00°C 
CellTranscriptional Regulator TtgR(Pseudomonas putida)
Imperial College

SyringePNGBDBM23446(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
ITC DataΔG°: -8.25kcal/mole −TΔS°: 7.43kcal/mole ΔH°: -15.7kcal/mole logk: 9.00E+5
pH: 7.0 T: 30.00°C 
CellTranscriptional Regulator TtgR-DNA(Pseudomonas putida)
Estacion Experimental Del Zaidin

SyringePNGBDBM23446(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
ITC DataΔG°: -8.74kcal/mole −TΔS°: 10.4kcal/mole ΔH°: -19.2kcal/mole logk: 2.05E+6
pH: 7.0 T: 30.00°C 
CellTranscriptional Regulator TtgR(Pseudomonas putida)
Imperial College

SyringePNGBDBM23446(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
ITC DataΔG°: -6.87kcal/mole −TΔS°: -4.88kcal/mole ΔH°: -1.99kcal/mole logk: 9.14E+4
pH: 7.0 T: 30.00°C