BDBM37107 (5-phenylisoxazol-3-yl)-(4-piperonylpiperazino)methanone::1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine::MLS000064974::SMR000078297::[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(5-phenyl-3-isoxazolyl)methanone::[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone::cid_1093756

SMILES O=C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1cc(on1)-c1ccccc1

InChI Key InChIKey=HLDLWLPCKVOGPN-UHFFFAOYSA-N

Data  3 EC50

  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 3 hits for monomerid = 37107   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37107BDBM37107([4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(5-...)
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:
4/29/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37107BDBM37107([4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(5-...)
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
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37107BDBM37107([4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(5-...)
Affinity DataEC50:  5.87E+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