BDBM50208887 CHEMBL239659::sodium 4-[(4-butoxyphenyl)thio]-20-(1-hydroxytridec-2-yn-1-yl)biphenyl-3-sulfonate

SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(c1)S([O-])(=O)=O

InChI Key InChIKey=GQBHTDSBHZGOKN-UHFFFAOYSA-M

Data  5 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 5 hits for monomerid = 50208887   

TargetSphingosine 1-phosphate receptor 1(Human)
Sankyo

Curated by ChEMBL
LigandPNGBDBM50208887(sodium 4-[(4-butoxyphenyl)thio]-20-(1-hydroxytride...)
Affinity DataIC50: 190nMAssay Description:Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2012
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 1(Human)
Sankyo

Curated by ChEMBL
LigandPNGBDBM50208887(sodium 4-[(4-butoxyphenyl)thio]-20-(1-hydroxytride...)
Affinity DataIC50: 1.00E+3nMAssay Description:Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2012
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 3(Human)
Sankyo

Curated by ChEMBL
LigandPNGBDBM50208887(sodium 4-[(4-butoxyphenyl)thio]-20-(1-hydroxytride...)
Affinity DataIC50: 1.30E+4nMAssay Description:Antagonist activity at human S1P3 receptor expressed in CHO cell membrane by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2012
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 2(Human)
Sankyo

Curated by ChEMBL
LigandPNGBDBM50208887(sodium 4-[(4-butoxyphenyl)thio]-20-(1-hydroxytride...)
Affinity DataIC50: 2.40E+4nMAssay Description:Antagonist activity at human S1P2 receptor expressed in CHO cell membrane by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2012
Entry Details Article
PubMed
TargetLysophosphatidic acid receptor 2(Human)
Sankyo

Curated by ChEMBL
LigandPNGBDBM50208887(sodium 4-[(4-butoxyphenyl)thio]-20-(1-hydroxytride...)
Affinity DataIC50: 4.00E+4nMAssay Description:Antagonist activity at human S1P4 receptor expressed in CHO cell membrane by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2012
Entry Details Article
PubMed