BDBM50177333 CHEMBL200003::potassium O-((2R,4S)-2-(heptadec-9-enyl)-1,3-dioxolan-4-yl)methyl O-hydrogenphosphorothioate

SMILES CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@@H](COP(O)([O-])=S)O1

InChI Key InChIKey=GPCDCYBCUTWZFV-FIKIWUFISA-M

Data  1 IC50  3 EC50

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 4 hits for monomerid = 50177333   

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM50177333(CHEMBL200003 | potassium O-((2R,4S)-2-(heptadec-9-...)
Show SMILES CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@@H](COP(O)([O-])=S)O1
Show InChI InChI=1S/C21H41O5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-18-20(26-21)19-25-27(22,23)28/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,28)/p-1/b9-8+/t20-,21+/m0/s1
Affinity DataIC50: 363nMAssay Description:Inhibition of lysophospholipase D autotaxinMore data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 2(Homo sapiens (Human))
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM50177333(CHEMBL200003 | potassium O-((2R,4S)-2-(heptadec-9-...)
Show SMILES CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@@H](COP(O)([O-])=S)O1
Show InChI InChI=1S/C21H41O5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-18-20(26-21)19-25-27(22,23)28/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,28)/p-1/b9-8+/t20-,21+/m0/s1
Affinity DataEC50:  1.54E+3nMAssay Description:Activity at LPA2 receptor in RH7777 rat hepatoma cell lineMore data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 3(Rattus norvegicus)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM50177333(CHEMBL200003 | potassium O-((2R,4S)-2-(heptadec-9-...)
Show SMILES CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@@H](COP(O)([O-])=S)O1
Show InChI InChI=1S/C21H41O5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-18-20(26-21)19-25-27(22,23)28/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,28)/p-1/b9-8+/t20-,21+/m0/s1
Affinity DataEC50:  204nMAssay Description:Activity at LPA3 receptor in RH7777 rat hepatoma cell lineMore data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 1(Rattus norvegicus)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM50177333(CHEMBL200003 | potassium O-((2R,4S)-2-(heptadec-9-...)
Show SMILES CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@@H](COP(O)([O-])=S)O1
Show InChI InChI=1S/C21H41O5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-18-20(26-21)19-25-27(22,23)28/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,28)/p-1/b9-8+/t20-,21+/m0/s1
Affinity DataEC50:  2.26E+3nMAssay Description:Activity at LPA1 receptor in RH7777 rat hepatoma cell lineMore data for this Ligand-Target Pair