BDBM36912 1-(2-methoxyphenyl)-2-[6-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]guanidine::1-(2-methoxyphenyl)-2-[6-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]guanidine::1-(2-methoxyphenyl)-2-[6-[[(4-methylphenyl)thio]methyl]-4-oxo-1H-pyrimidin-2-yl]guanidine::2-[4-keto-6-[(p-tolylthio)methyl]-1H-pyrimidin-2-yl]-1-(2-methoxyphenyl)guanidine::MLS000078736::SMR000034813::cid_5587117

SMILES COc1ccccc1N=C(N)Nc1nc(CSc2ccc(C)cc2)cc(=O)[nH]1

InChI Key InChIKey=OCCMCRFIERZTBE-UHFFFAOYSA-N

Data  3 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 36912   

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

Curated by PubChem BioAssay
LigandPNGBDBM36912(1-(2-methoxyphenyl)-2-[6-[[(4-methylphenyl)thio]me...)
Affinity DataEC50:  9.15E+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:
4/28/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36912(1-(2-methoxyphenyl)-2-[6-[[(4-methylphenyl)thio]me...)
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 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
LigandPNGBDBM36912(1-(2-methoxyphenyl)-2-[6-[[(4-methylphenyl)thio]me...)
Affinity DataEC50:  7.29E+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