BDBM57779 (3-tert-butyl-4-hydroxyphenyl) 2-ethylhexanoate::(3-tert-butyl-4-oxidanyl-phenyl) 2-ethylhexanoate::2-ethylhexanoic acid (3-tert-butyl-4-hydroxy-phenyl) ester::2-ethylhexanoic acid (3-tert-butyl-4-hydroxyphenyl) ester::3-tert-butyl-4-hydroxyphenyl 2-ethylhexanoate::MLS000704873::SMR000231598::cid_4409907

SMILES CCCCC(CC)C(=O)Oc1ccc(O)c(c1)C(C)(C)C

InChI Key InChIKey=AUQPRLDEZMUMIZ-UHFFFAOYSA-N

Data  3 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 57779   

TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM57779((3-tert-butyl-4-hydroxyphenyl) 2-ethylhexanoate | ...)
Affinity DataEC50:  4.96E+3nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM57779((3-tert-butyl-4-hydroxyphenyl) 2-ethylhexanoate | ...)
Affinity DataIC50: 5.04E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM57779((3-tert-butyl-4-hydroxyphenyl) 2-ethylhexanoate | ...)
Affinity DataIC50: 1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM57779((3-tert-butyl-4-hydroxyphenyl) 2-ethylhexanoate | ...)
Affinity DataIC50: 1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay