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BDBM50177329 CHEMBL199380::potassium (2-(6-(4-octylphenyl)hexyl)-1,3-dioxolan-4-yl)methyl hydrogenphosphate

SMILES: CCCCCCCCc1ccc(CCCCCCC2OCC(COP(O)([O-])=O)O2)cc1

InChI Key: InChIKey=WIPCJMREODOQIJ-UHFFFAOYSA-M

Data: 2 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50177329   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50177329
PNG
(CHEMBL199380 | potassium (2-(6-(4-octylphenyl)hexy...)
Show SMILES CCCCCCCCc1ccc(CCCCCCC2OCC(COP(O)([O-])=O)O2)cc1
Show InChI InChI=1S/C24H41O6P/c1-2-3-4-5-6-9-12-21-15-17-22(18-16-21)13-10-7-8-11-14-24-28-19-23(30-24)20-29-31(25,26)27/h15-18,23-24H,2-14,19-20H2,1H3,(H2,25,26,27)/p-1
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171n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor in RH7777 rat hepatoma cell line


Bioorg Med Chem Lett 16: 451-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.096
BindingDB Entry DOI: 10.7270/Q2Z89C01
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50177329
PNG
(CHEMBL199380 | potassium (2-(6-(4-octylphenyl)hexy...)
Show SMILES CCCCCCCCc1ccc(CCCCCCC2OCC(COP(O)([O-])=O)O2)cc1
Show InChI InChI=1S/C24H41O6P/c1-2-3-4-5-6-9-12-21-15-17-22(18-16-21)13-10-7-8-11-14-24-28-19-23(30-24)20-29-31(25,26)27/h15-18,23-24H,2-14,19-20H2,1H3,(H2,25,26,27)/p-1
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1.93E+3n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA1 receptor in RH7777 rat hepatoma cell line


Bioorg Med Chem Lett 16: 451-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.096
BindingDB Entry DOI: 10.7270/Q2Z89C01
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50177329
PNG
(CHEMBL199380 | potassium (2-(6-(4-octylphenyl)hexy...)
Show SMILES CCCCCCCCc1ccc(CCCCCCC2OCC(COP(O)([O-])=O)O2)cc1
Show InChI InChI=1S/C24H41O6P/c1-2-3-4-5-6-9-12-21-15-17-22(18-16-21)13-10-7-8-11-14-24-28-19-23(30-24)20-29-31(25,26)27/h15-18,23-24H,2-14,19-20H2,1H3,(H2,25,26,27)/p-1
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n/an/a 4.66E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA1 receptor in RH7777 rat hepatoma cell line


Bioorg Med Chem Lett 16: 451-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.096
BindingDB Entry DOI: 10.7270/Q2Z89C01
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50177329
PNG
(CHEMBL199380 | potassium (2-(6-(4-octylphenyl)hexy...)
Show SMILES CCCCCCCCc1ccc(CCCCCCC2OCC(COP(O)([O-])=O)O2)cc1
Show InChI InChI=1S/C24H41O6P/c1-2-3-4-5-6-9-12-21-15-17-22(18-16-21)13-10-7-8-11-14-24-28-19-23(30-24)20-29-31(25,26)27/h15-18,23-24H,2-14,19-20H2,1H3,(H2,25,26,27)/p-1
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n/an/a 106n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of lysophospholipase D autotaxin


Bioorg Med Chem Lett 16: 451-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.096
BindingDB Entry DOI: 10.7270/Q2Z89C01
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50177329
PNG
(CHEMBL199380 | potassium (2-(6-(4-octylphenyl)hexy...)
Show SMILES CCCCCCCCc1ccc(CCCCCCC2OCC(COP(O)([O-])=O)O2)cc1
Show InChI InChI=1S/C24H41O6P/c1-2-3-4-5-6-9-12-21-15-17-22(18-16-21)13-10-7-8-11-14-24-28-19-23(30-24)20-29-31(25,26)27/h15-18,23-24H,2-14,19-20H2,1H3,(H2,25,26,27)/p-1
Reactome pathway
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PC cid
PC sid
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n/an/a 504n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor in RH7777 rat hepatoma cell line


Bioorg Med Chem Lett 16: 451-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.096
BindingDB Entry DOI: 10.7270/Q2Z89C01
More data for this
Ligand-Target Pair