BDBM50324676 (R)-3-amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid::CHEMBL1221649

SMILES CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N

InChI Key InChIKey=FWJRVGZWNDOOFH-UHFFFAOYSA-N

Data  2 KI

PDB links: 2 PDB IDs match this monomer.

  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 2 hits for monomerid = 50324676   

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

Curated by ChEMBL
LigandPNGBDBM50324676((R)-3-amino-4-(3-hexylphenylamino)-4-oxobutylphosp...)
Affinity DataKi:  18nMAssay Description:Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of SEW2871-induced [35S]GTPgamma bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50324676((R)-3-amino-4-(3-hexylphenylamino)-4-oxobutylphosp...)
Affinity DataKi:  77nMAssay Description:Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of S1P-induced [35S]GTPgamma bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)