BDBM37010 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(1,3-benzoxazol-2-ylthio)ethanone::2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)ethanone::2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone::2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone::MLS000060525::SMR000068766::cid_2620914

SMILES Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1CC=C

InChI Key InChIKey=VDZYKTVXIQGYID-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 37010   

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

Curated by PubChem BioAssay
LigandPNGBDBM37010(2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,5-dimethyl-1-...)
Affinity DataEC50:  9.52E+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:
4/29/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37010(2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,5-dimethyl-1-...)
Affinity DataEC50:  1.03E+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
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37010(2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,5-dimethyl-1-...)
Affinity DataEC50: >3.00E+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 Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay
TargetSignal transducer and activator of transcription 3 [702-738,740-752](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37010(2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,5-dimethyl-1-...)
Affinity DataEC50: >5.57E+4nMAssay Description:Source (MLPCN 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:
5/21/2011
Entry Details
PCBioAssay