BDBM31369 1-Allyl-4-((4-chloro-phenyl)-{1-[2-(3,4-dimethoxy-phenyl)-ethyl]-1H-tetrazol-5-yl}-methyl)-piperazine::1-[(4-chlorophenyl)-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrazol-5-yl]methyl]-4-prop-2-enyl-piperazine;hydrochloride::1-[(4-chlorophenyl)-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-tetrazolyl]methyl]-4-prop-2-enylpiperazine;hydrochloride::1-[(4-chlorophenyl)-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine;hydrochloride::1-allyl-4-[(4-chlorophenyl)-(1-homoveratryltetrazol-5-yl)methyl]piperazine;hydrochloride::MLS000880336::SMR000005111::cid_6603187

SMILES COc1ccc(CCn2nnnc2C(N2CCN(CC=C)CC2)c2ccc(Cl)cc2)cc1OC

InChI Key InChIKey=JPZADHRMFABXNL-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 = 31369   

TargetSphingosine 1-phosphate receptor 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31369(MLS000880336 | SMR000005111 | 1-[(4-chlorophenyl)-...)
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
Target5-hydroxytryptamine receptor 1E(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31369(MLS000880336 | SMR000005111 | 1-[(4-chlorophenyl)-...)
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
LigandPNGBDBM31369(MLS000880336 | SMR000005111 | 1-[(4-chlorophenyl)-...)
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