BDBM39954 2-[(2,5-dimethylphenyl)thio]acetic acid [2-(2-furanyl)-2-oxoethyl] ester::2-[(2,5-dimethylphenyl)thio]acetic acid [2-(2-furyl)-2-keto-ethyl] ester::MLS000055372::SMR000065910::[2-(furan-2-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate::[2-(furan-2-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate::cid_2336424

SMILES Cc1ccc(C)c(SCC(=O)OCC(=O)c2ccco2)c1

InChI Key InChIKey=DAANMWMNMVYTCZ-UHFFFAOYSA-N

Data  5 IC50

  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 -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 39954   

TargetEstrogen receptor(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39954(2-[(2,5-dimethylphenyl)thio]acetic acid [2-(2-fura...)
Affinity DataIC50: 5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39954(2-[(2,5-dimethylphenyl)thio]acetic acid [2-(2-fura...)
Affinity DataIC50: 6.74E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39954(2-[(2,5-dimethylphenyl)thio]acetic acid [2-(2-fura...)
Affinity DataIC50: 91.2nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3G(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39954(2-[(2,5-dimethylphenyl)thio]acetic acid [2-(2-fura...)
Affinity DataIC50: 4.63E+4nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39954(2-[(2,5-dimethylphenyl)thio]acetic acid [2-(2-fura...)
Affinity DataIC50: 1.80E+4nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay