BDBM37096 2-(5-acetyl-2-ethoxy-phenyl)-3a,4,7,7a-tetrahydro-octahydro-1H-4,7-epoxyisoindole-1,3-quinone::2-(5-acetyl-2-ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3-dione::2-(5-acetyl-2-ethoxyphenyl)-3a,4,7,7a-tetrahydro-octahydro-1H-4,7-epoxyisoindole-1,3-dione::2-(5-ethanoyl-2-ethoxy-phenyl)-3a,4,7,7a-tetrahydro-octahydro-1H-4,7-epoxyisoindole-1,3-dione::MLS000087730::SMR000023951::cid_3245603

SMILES [H]C12OC([H])(C=C1)c1c(O)n(c(O)c21)-c1cc(ccc1OCC)C(C)=O

InChI Key

Data  3 EC50

  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 3 hits for monomerid = 37096   

TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37096(MLS000087730 | 2-(5-acetyl-2-ethoxyphenyl)-3a,4,7,...)
Affinity DataEC50:  4.31E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37096(MLS000087730 | 2-(5-acetyl-2-ethoxyphenyl)-3a,4,7,...)
Affinity DataEC50:  1.02E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37096(MLS000087730 | 2-(5-acetyl-2-ethoxyphenyl)-3a,4,7,...)
Affinity DataEC50:  1.08E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay