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BDBM50177340 CHEMBL382116::potassium ((2R,4S)-2-(heptadec-9-enyl)-1,3-dioxolan-4-yl)methyl hydrogenphosphate

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

InChI Key: InChIKey=VOGLVEXYHHYNNM-FIKIWUFISA-M

Data: 1 KI  2 IC50  2 EC50

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 = 50177340   
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)
BDBM50177340
PNG
(CHEMBL382116 | potassium ((2R,4S)-2-(heptadec-9-en...)
Show SMILES CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@@H](COP(O)([O-])=O)O1
Show InChI InChI=1S/C21H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-18-20(27-21)19-26-28(22,23)24/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,24)/p-1/b9-8+/t20-,21+/m0/s1
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PC sid
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241n/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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50177340
PNG
(CHEMBL382116 | potassium ((2R,4S)-2-(heptadec-9-en...)
Show SMILES CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@@H](COP(O)([O-])=O)O1
Show InChI InChI=1S/C21H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-18-20(27-21)19-26-28(22,23)24/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,24)/p-1/b9-8+/t20-,21+/m0/s1
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antibodypedia
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PC sid
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n/an/a 238n/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)
BDBM50177340
PNG
(CHEMBL382116 | potassium ((2R,4S)-2-(heptadec-9-en...)
Show SMILES CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@@H](COP(O)([O-])=O)O1
Show InChI InChI=1S/C21H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-18-20(27-21)19-26-28(22,23)24/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,24)/p-1/b9-8+/t20-,21+/m0/s1
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n/an/an/an/a>1.00E+4n/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)
BDBM50177340
PNG
(CHEMBL382116 | potassium ((2R,4S)-2-(heptadec-9-en...)
Show SMILES CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@@H](COP(O)([O-])=O)O1
Show InChI InChI=1S/C21H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-18-20(27-21)19-26-28(22,23)24/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,24)/p-1/b9-8+/t20-,21+/m0/s1
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n/an/a 484n/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 Edg-4


(Homo sapiens (Human))
BDBM50177340
PNG
(CHEMBL382116 | potassium ((2R,4S)-2-(heptadec-9-en...)
Show SMILES CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@@H](COP(O)([O-])=O)O1
Show InChI InChI=1S/C21H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-18-20(27-21)19-26-28(22,23)24/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,24)/p-1/b9-8+/t20-,21+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA2 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