null

SMILES COc1ccccc1-n1nnnc1SCc1cc2OCOc2cc1Br

InChI Key InChIKey=TWXLIYYAFZPYAA-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 37111   

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

Curated by PubChem BioAssay
LigandPNGBDBM37111(5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl...)copy SMILEScopy InChI
Affinity DataEC50:  3.62E+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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZC817PPCBioAssay
Target14-3-3 protein gamma(Homo sapiens (Human))
Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37111(5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN MLSCN Grant: 1 X01MH78953-01 The 14-3-3 pr...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2V986FTPCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37111(5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl...)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2251GJ9PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37111(5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl...)copy SMILEScopy InChI
Affinity DataEC50: >9.51E+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 DepthDetails
BindingDB Entry DOI: 10.7270/Q25X2795PCBioAssay