BDBM31346 (3E)-3-(6-ketocyclohexa-2,4-dien-1-ylidene)-N-[2-(methylthio)phenyl]isoxazolidine-5-carboxamide::(3E)-N-(2-methylsulfanylphenyl)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,2-oxazolidine-5-carboxamide::(3E)-N-(2-methylsulfanylphenyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-oxazolidine-5-carboxamide::(3E)-N-[2-(methylthio)phenyl]-3-(6-oxo-1-cyclohexa-2,4-dienylidene)-5-isoxazolidinecarboxamide::3-(2-hydroxyphenyl)-N-[2-(methylthio)phenyl]-4,5-dihydro-5-isoxazolecarboxamide::MLS000064957::SMR000078276::cid_5771718

SMILES CSc1ccccc1NC(=O)C1CC(=NO1)c1ccccc1O

InChI Key InChIKey=FIYZHRFIVIPMNK-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 31346   

Target5-hydroxytryptamine receptor 1E(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31346(SMR000078276 | (3E)-N-[2-(methylthio)phenyl]-3-(6-...)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:The CHO cell line was cultured in T-175 flasks at 37 degrees C and 95% relative humidity (RH). The growth media consisted of Dulbecco's Modified ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2009
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31346(SMR000078276 | (3E)-N-[2-(methylthio)phenyl]-3-(6-...)
Affinity DataIC50: 4.98E+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 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31346(SMR000078276 | (3E)-N-[2-(methylthio)phenyl]-3-(6-...)
Affinity DataIC50: 5.00E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay