BDBM50176399 CHEMBL202242::octanoic acid (S)-2-octanoyloxy-3-thiophosphonooxy-propyl ester

SMILES CCCCCCCC(=O)OC[C@@H](COP(O)(O)=S)OC(=O)CCCCCCC

InChI Key InChIKey=CUXSKJSPPDINEH-UHFFFAOYSA-N

Data  1 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50176399   

TargetAutotaxin(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM50176399(octanoic acid (S)-2-octanoyloxy-3-thiophosphonooxy...)
Affinity DataIC50: 727nMAssay Description:Inhibition of recombinant ATX from transfected HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetLysophosphatidic acid receptor 2(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM50176399(octanoic acid (S)-2-octanoyloxy-3-thiophosphonooxy...)
Affinity DataEC50:  7.17E+3nMAssay Description:Activity at LPA2 receptor transfected RH7777 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetLysophosphatidic acid receptor 3(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM50176399(octanoic acid (S)-2-octanoyloxy-3-thiophosphonooxy...)
Affinity DataEC50:  115nMAssay Description:Activity at LPA3 receptor transfected RH7777 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed