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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Lysophosphatidic acid receptor 3' and Ligand = 'BDBM50148348'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50148348
PNG
((R)-Octadec-9-enoic acid 2-hydroxy-3-phosphonooxy-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O
Show InChI InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1
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n/an/an/an/a 263n/an/an/an/a



Oxford University

Curated by ChEMBL


Assay Description
Agonistic activity against lysophosphatidic acid receptor 3 using [35S]-GTP-gammaS as radioligand tested in vitro


Bioorg Med Chem Lett 14: 3473-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.061
BindingDB Entry DOI: 10.7270/Q2D50MDW
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50148348
PNG
((R)-Octadec-9-enoic acid 2-hydroxy-3-phosphonooxy-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O
Show InChI InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1
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PubMed
n/an/an/an/a 77n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA3 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay


Bioorg Med Chem Lett 23: 1865-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.002
BindingDB Entry DOI: 10.7270/Q2SN0B9G
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50148348
PNG
((R)-Octadec-9-enoic acid 2-hydroxy-3-phosphonooxy-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O
Show InChI InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1
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n/an/an/an/a 120n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Agonist activity at LPA3 expressed in human chem1 cells assessed as intracellular calcium mobilization by FLIPR assay


Bioorg Med Chem 18: 477-95 (2010)


Article DOI: 10.1016/j.bmc.2009.12.020
BindingDB Entry DOI: 10.7270/Q2W66KWQ
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50148348
PNG
((R)-Octadec-9-enoic acid 2-hydroxy-3-phosphonooxy-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O
Show InChI InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1
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Article
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n/an/an/an/a 830n/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Agonist activity at human LPA3 expressed in LPA1xLPA2 double knockout mouse MEF cells by Fura-2AM dye based Ca2+ mobilization assay


J Med Chem 57: 7136-40 (2014)


Article DOI: 10.1021/jm5007116
BindingDB Entry DOI: 10.7270/Q22V2HS4
More data for this
Ligand-Target Pair