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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  4 IC50  1 EC50  6 ITC

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 23446   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Solute carrier family 28 member 3


(Homo sapiens)
BDBM23446
PNG
(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1
Show InChI InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
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Article
PubMed
3.23E+4n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CNT3 expressed in pig PK15NTD cells assessed as [3H]uridine uptake by beta-scintillation counter


Bioorg Med Chem Lett 19: 917-21 (2009)

More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM23446
PNG
(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1
Show InChI InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
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8.60E+4n/an/an/an/an/an/an/an/a



Max-Planck-Institut f£r molekulare Physiologie

Curated by ChEMBL


Assay Description
Binding affinity against Sodium/glucose co-transporter of isolated renal brush border membranes.


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens)
BDBM23446
PNG
(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1
Show InChI InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
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n/an/an/an/a 2.14E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...


Citation and Details
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM23446
PNG
(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1
Show InChI InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
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n/an/a 2.80E+4n/an/an/an/an/an/a



Physiologisch-chemisches Institut der Eberhard-Karls-Universit£t T£bingen

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes


Citation and Details
More data for this
Ligand-Target Pair
Glucose Transporter 1 (hGLUT1)


(Homo sapiens (Human))
BDBM23446
PNG
(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1
Show InChI InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
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n/an/a 2.14E+4n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of GLUT1 in human H1299 cells assessed as inhibition of 2-deoxy-D-[3H]-glucose uptake incubated for 15 mins prior to 2-deoxy-D-[3H]-glucos...


Bioorg Med Chem Lett 23: 6923-7 (2013)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 2


(Rattus norvegicus)
BDBM23446
PNG
(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1
Show InChI InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



Physiologisch-chemisches Institut der Eberhard-Karls-Universit£t T£bingen

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM23446
PNG
(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1
Show InChI InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
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n/an/a 2.50E+7n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Nat Prod 69: 14-7 (2006)

More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 6 hits for monomerid = 23446
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Transcriptional Regulator TtgR

(Pseudomonas putida)
BDBM23446
JPEG
(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
GoogleScholar
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CHEBI
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KEGG
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PC cid
PC sid
PDB
-10.24.89-15.17.32730



DuPont Pharmaceuticals Company





J Mol Biol 369: 829-40 (2007)

Transcriptional Regulator TtgR

(Pseudomonas putida)
BDBM23446
JPEG
(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
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PC cid
PC sid
PDB
-8.298.70-17.05.99730



Estacion Experimental del Zaidin





J Biol Chem 281: 7102-9 (2006)

Transcriptional Regulator TtgR Mutant R176G

(Pseudomonas putida)
BDBM23446
JPEG
(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
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PC cid
PC sid
PDB
-6.9914.6-21.65.04730



DuPont Pharmaceuticals Company





J Mol Biol 369: 829-40 (2007)

Transcriptional Regulator TtgR

(Pseudomonas putida)
BDBM23446
JPEG
(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-8.257.43-15.75.95730



Estacion Experimental del Zaidin





J Biol Chem 281: 7102-9 (2006)

Transcriptional Regulator TtgR-DNA

(Pseudomonas putida)
BDBM23446
JPEG
(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-8.7410.4-19.26.31730



Estacion Experimental del Zaidin





J Biol Chem 281: 7102-9 (2006)

Transcriptional Regulator TtgR

(Pseudomonas putida)
BDBM23446
JPEG
(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-6.87-4.88-1.994.96730



Estacion Experimental del Zaidin





J Biol Chem 281: 7102-9 (2006)