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BDBM50249070 1-(2,4,6-trihydroxyphenyl)ethanone::2, 4, 6-trihydroxyacetophenone::2,4,6-trihydroxy acetophenone::CHEMBL452477

SMILES: CC(=O)c1c(O)cc(O)cc1O

InChI Key: InChIKey=XLEYFDVVXLMULC-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50249070   
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 (Human))
BDBM50249070
PNG
(1-(2,4,6-trihydroxyphenyl)ethanone | 2, 4, 6-trihy...)
Show SMILES CC(=O)c1c(O)cc(O)cc1O
Show InChI InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3
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CHEBI
CHEMBL
PC cid
PC sid
PDB
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Similars

Article
PubMed
>1.00E+5n/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)


Article DOI: 10.1016/j.bmcl.2008.11.112
BindingDB Entry DOI: 10.7270/Q2K07440
More data for this
Ligand-Target Pair
Neuronal proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))
BDBM50249070
PNG
(1-(2,4,6-trihydroxyphenyl)ethanone | 2, 4, 6-trihy...)
Show SMILES CC(=O)c1c(O)cc(O)cc1O
Show InChI InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3
PDB
MMDB

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KEGG

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B.MOAD
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CHEBI
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.95E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of Src in mouse BV2 cells assessed as suppression of LPS-induced NO release preincubated for 1 hr followed by LPS addition measured after ...


J Med Chem 59: 9062-9079 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00976
BindingDB Entry DOI: 10.7270/Q2B56MP4
More data for this
Ligand-Target Pair