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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 404.3
BDBM50304580
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Wt: 410.8
BDBM50388091
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Wt: 410.4
BDBM50430013
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Wt: 393.4
BDBM251665
Wt: 419.4
BDBM251669
Wt: 415.4
BDBM251686
Wt: 405.4
BDBM251692
Wt: 407.4
BDBM251724
Wt: 419.4
BDBM251726
Wt: 389.4
BDBM251737
Wt: 421.4
BDBM251739
Wt: 409.8
BDBM251740
Wt: 420.4
BDBM251741
Wt: 421.4
BDBM251747
Wt: 421.4
BDBM251749
Displayed 1 to 15 (of 97 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 62 hits in this display   
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 1


(Homo sapiens (Human))
BDBM50304580
PNG
(2-(3-(4-nitrophenoxy)phenyl)-1,3-dioxoisoindoline-...)
Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C21H12N2O7/c24-19-17-9-4-12(21(26)27)10-18(17)20(25)22(19)14-2-1-3-16(11-14)30-15-7-5-13(6-8-15)23(28)29/h1-11H,(H,26,27)
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Article
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48n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Binding affinity to LPA1


Bioorg Med Chem 17: 7457-64 (2009)


Article DOI: 10.1016/j.bmc.2009.09.022
BindingDB Entry DOI: 10.7270/Q2GB244M
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50304580
PNG
(2-(3-(4-nitrophenoxy)phenyl)-1,3-dioxoisoindoline-...)
Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C21H12N2O7/c24-19-17-9-4-12(21(26)27)10-18(17)20(25)22(19)14-2-1-3-16(11-14)30-15-7-5-13(6-8-15)23(28)29/h1-11H,(H,26,27)
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230n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Binding affinity to LPA3


Bioorg Med Chem 17: 7457-64 (2009)


Article DOI: 10.1016/j.bmc.2009.09.022
BindingDB Entry DOI: 10.7270/Q2GB244M
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM50304580
PNG
(2-(3-(4-nitrophenoxy)phenyl)-1,3-dioxoisoindoline-...)
Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C21H12N2O7/c24-19-17-9-4-12(21(26)27)10-18(17)20(25)22(19)14-2-1-3-16(11-14)30-15-7-5-13(6-8-15)23(28)29/h1-11H,(H,26,27)
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The University of Memphis

Curated by ChEMBL


Assay Description
Binding affinity to LPA5


Bioorg Med Chem 17: 7457-64 (2009)


Article DOI: 10.1016/j.bmc.2009.09.022
BindingDB Entry DOI: 10.7270/Q2GB244M
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251726
PNG
(US10100018, Example 62 | US9464060, 62)
Show SMILES CCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2OC)cc1
Show InChI InChI=1S/C25H25NO5/c1-3-16-26(17-18-8-10-20(11-9-18)25(28)29)24(27)19-12-14-21(15-13-19)31-23-7-5-4-6-22(23)30-2/h4-15H,3,16-17H2,1-2H3,(H,28,29)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251726
PNG
(US10100018, Example 62 | US9464060, 62)
Show SMILES CCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2OC)cc1
Show InChI InChI=1S/C25H25NO5/c1-3-16-26(17-18-8-10-20(11-9-18)25(28)29)24(27)19-12-14-21(15-13-19)31-23-7-5-4-6-22(23)30-2/h4-15H,3,16-17H2,1-2H3,(H,28,29)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM251726
PNG
(US10100018, Example 62 | US9464060, 62)
Show SMILES CCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2OC)cc1
Show InChI InChI=1S/C25H25NO5/c1-3-16-26(17-18-8-10-20(11-9-18)25(28)29)24(27)19-12-14-21(15-13-19)31-23-7-5-4-6-22(23)30-2/h4-15H,3,16-17H2,1-2H3,(H,28,29)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA5 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251726
PNG
(US10100018, Example 62 | US9464060, 62)
Show SMILES CCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2OC)cc1
Show InChI InChI=1S/C25H25NO5/c1-3-16-26(17-18-8-10-20(11-9-18)25(28)29)24(27)19-12-14-21(15-13-19)31-23-7-5-4-6-22(23)30-2/h4-15H,3,16-17H2,1-2H3,(H,28,29)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251669
PNG
(US10100018, Example 5 | US9464060, 5)
Show SMILES OC(=O)c1ccc(CN(CC2CC2)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
Show InChI InChI=1S/C25H22FNO4/c26-22-3-1-2-4-23(22)31-21-13-11-19(12-14-21)24(28)27(15-17-5-6-17)16-18-7-9-20(10-8-18)25(29)30/h1-4,7-14,17H,5-6,15-16H2,(H,29,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM251669
PNG
(US10100018, Example 5 | US9464060, 5)
Show SMILES OC(=O)c1ccc(CN(CC2CC2)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
Show InChI InChI=1S/C25H22FNO4/c26-22-3-1-2-4-23(22)31-21-13-11-19(12-14-21)24(28)27(15-17-5-6-17)16-18-7-9-20(10-8-18)25(29)30/h1-4,7-14,17H,5-6,15-16H2,(H,29,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA5 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM251739
PNG
(US10100018, Example 75 | US9464060, 75)
Show SMILES CCCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2F)cc1
Show InChI InChI=1S/C25H24FNO4/c1-2-3-16-27(17-18-8-10-20(11-9-18)25(29)30)24(28)19-12-14-21(15-13-19)31-23-7-5-4-6-22(23)26/h4-15H,2-3,16-17H2,1H3,(H,29,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA5 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251739
PNG
(US10100018, Example 75 | US9464060, 75)
Show SMILES CCCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2F)cc1
Show InChI InChI=1S/C25H24FNO4/c1-2-3-16-27(17-18-8-10-20(11-9-18)25(29)30)24(28)19-12-14-21(15-13-19)31-23-7-5-4-6-22(23)26/h4-15H,2-3,16-17H2,1H3,(H,29,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM251686
PNG
(US10100018, Example 22 | US9464060, 22)
Show SMILES Cc1ccccc1Oc1ccc(cc1)C(=O)N(CC1CC1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H25NO4/c1-18-4-2-3-5-24(18)31-23-14-12-21(13-15-23)25(28)27(16-19-6-7-19)17-20-8-10-22(11-9-20)26(29)30/h2-5,8-15,19H,6-7,16-17H2,1H3,(H,29,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA5 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251686
PNG
(US10100018, Example 22 | US9464060, 22)
Show SMILES Cc1ccccc1Oc1ccc(cc1)C(=O)N(CC1CC1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H25NO4/c1-18-4-2-3-5-24(18)31-23-14-12-21(13-15-23)25(28)27(16-19-6-7-19)17-20-8-10-22(11-9-20)26(29)30/h2-5,8-15,19H,6-7,16-17H2,1H3,(H,29,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251686
PNG
(US10100018, Example 22 | US9464060, 22)
Show SMILES Cc1ccccc1Oc1ccc(cc1)C(=O)N(CC1CC1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H25NO4/c1-18-4-2-3-5-24(18)31-23-14-12-21(13-15-23)25(28)27(16-19-6-7-19)17-20-8-10-22(11-9-20)26(29)30/h2-5,8-15,19H,6-7,16-17H2,1H3,(H,29,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251686
PNG
(US10100018, Example 22 | US9464060, 22)
Show SMILES Cc1ccccc1Oc1ccc(cc1)C(=O)N(CC1CC1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H25NO4/c1-18-4-2-3-5-24(18)31-23-14-12-21(13-15-23)25(28)27(16-19-6-7-19)17-20-8-10-22(11-9-20)26(29)30/h2-5,8-15,19H,6-7,16-17H2,1H3,(H,29,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251739
PNG
(US10100018, Example 75 | US9464060, 75)
Show SMILES CCCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2F)cc1
Show InChI InChI=1S/C25H24FNO4/c1-2-3-16-27(17-18-8-10-20(11-9-18)25(29)30)24(28)19-12-14-21(15-13-19)31-23-7-5-4-6-22(23)26/h4-15H,2-3,16-17H2,1H3,(H,29,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251739
PNG
(US10100018, Example 75 | US9464060, 75)
Show SMILES CCCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2F)cc1
Show InChI InChI=1S/C25H24FNO4/c1-2-3-16-27(17-18-8-10-20(11-9-18)25(29)30)24(28)19-12-14-21(15-13-19)31-23-7-5-4-6-22(23)26/h4-15H,2-3,16-17H2,1H3,(H,29,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251724
PNG
(US10100018, Example 60 | US9464060, 60)
Show SMILES CCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2F)cc1
Show InChI InChI=1S/C24H22FNO4/c1-2-15-26(16-17-7-9-19(10-8-17)24(28)29)23(27)18-11-13-20(14-12-18)30-22-6-4-3-5-21(22)25/h3-14H,2,15-16H2,1H3,(H,28,29)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251724
PNG
(US10100018, Example 60 | US9464060, 60)
Show SMILES CCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2F)cc1
Show InChI InChI=1S/C24H22FNO4/c1-2-15-26(16-17-7-9-19(10-8-17)24(28)29)23(27)18-11-13-20(14-12-18)30-22-6-4-3-5-21(22)25/h3-14H,2,15-16H2,1H3,(H,28,29)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM251692
PNG
(US10100018, Example 28 | US9464060, 28)
Show SMILES CCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2OC)cc1
Show InChI InChI=1S/C24H23NO5/c1-3-25(16-17-8-10-19(11-9-17)24(27)28)23(26)18-12-14-20(15-13-18)30-22-7-5-4-6-21(22)29-2/h4-15H,3,16H2,1-2H3,(H,27,28)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA5 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251692
PNG
(US10100018, Example 28 | US9464060, 28)
Show SMILES CCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2OC)cc1
Show InChI InChI=1S/C24H23NO5/c1-3-25(16-17-8-10-19(11-9-17)24(27)28)23(26)18-12-14-20(15-13-18)30-22-7-5-4-6-21(22)29-2/h4-15H,3,16H2,1-2H3,(H,27,28)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251669
PNG
(US10100018, Example 5 | US9464060, 5)
Show SMILES OC(=O)c1ccc(CN(CC2CC2)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
Show InChI InChI=1S/C25H22FNO4/c26-22-3-1-2-4-23(22)31-21-13-11-19(12-14-21)24(28)27(15-17-5-6-17)16-18-7-9-20(10-8-18)25(29)30/h1-4,7-14,17H,5-6,15-16H2,(H,29,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251692
PNG
(US10100018, Example 28 | US9464060, 28)
Show SMILES CCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2OC)cc1
Show InChI InChI=1S/C24H23NO5/c1-3-25(16-17-8-10-19(11-9-17)24(27)28)23(26)18-12-14-20(15-13-18)30-22-7-5-4-6-21(22)29-2/h4-15H,3,16H2,1-2H3,(H,27,28)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251669
PNG
(US10100018, Example 5 | US9464060, 5)
Show SMILES OC(=O)c1ccc(CN(CC2CC2)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
Show InChI InChI=1S/C25H22FNO4/c26-22-3-1-2-4-23(22)31-21-13-11-19(12-14-21)24(28)27(15-17-5-6-17)16-18-7-9-20(10-8-18)25(29)30/h1-4,7-14,17H,5-6,15-16H2,(H,29,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251692
PNG
(US10100018, Example 28 | US9464060, 28)
Show SMILES CCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2OC)cc1
Show InChI InChI=1S/C24H23NO5/c1-3-25(16-17-8-10-19(11-9-17)24(27)28)23(26)18-12-14-20(15-13-18)30-22-7-5-4-6-21(22)29-2/h4-15H,3,16H2,1-2H3,(H,27,28)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251724
PNG
(US10100018, Example 60 | US9464060, 60)
Show SMILES CCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2F)cc1
Show InChI InChI=1S/C24H22FNO4/c1-2-15-26(16-17-7-9-19(10-8-17)24(28)29)23(27)18-11-13-20(14-12-18)30-22-6-4-3-5-21(22)25/h3-14H,2,15-16H2,1H3,(H,28,29)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM251724
PNG
(US10100018, Example 60 | US9464060, 60)
Show SMILES CCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2F)cc1
Show InChI InChI=1S/C24H22FNO4/c1-2-15-26(16-17-7-9-19(10-8-17)24(28)29)23(27)18-11-13-20(14-12-18)30-22-6-4-3-5-21(22)25/h3-14H,2,15-16H2,1H3,(H,28,29)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA5 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM251741
PNG
(US10100018, Example 77 | US9464060, 77)
Show SMILES OC(=O)c1ccc(CN(CC2CC2)C(=O)c2ccc(Oc3ccccc3F)cn2)cc1
Show InChI InChI=1S/C24H21FN2O4/c25-20-3-1-2-4-22(20)31-19-11-12-21(26-13-19)23(28)27(14-16-5-6-16)15-17-7-9-18(10-8-17)24(29)30/h1-4,7-13,16H,5-6,14-15H2,(H,29,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA5 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251741
PNG
(US10100018, Example 77 | US9464060, 77)
Show SMILES OC(=O)c1ccc(CN(CC2CC2)C(=O)c2ccc(Oc3ccccc3F)cn2)cc1
Show InChI InChI=1S/C24H21FN2O4/c25-20-3-1-2-4-22(20)31-19-11-12-21(26-13-19)23(28)27(14-16-5-6-16)15-17-7-9-18(10-8-17)24(29)30/h1-4,7-13,16H,5-6,14-15H2,(H,29,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251741
PNG
(US10100018, Example 77 | US9464060, 77)
Show SMILES OC(=O)c1ccc(CN(CC2CC2)C(=O)c2ccc(Oc3ccccc3F)cn2)cc1
Show InChI InChI=1S/C24H21FN2O4/c25-20-3-1-2-4-22(20)31-19-11-12-21(26-13-19)23(28)27(14-16-5-6-16)15-17-7-9-18(10-8-17)24(29)30/h1-4,7-13,16H,5-6,14-15H2,(H,29,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251741
PNG
(US10100018, Example 77 | US9464060, 77)
Show SMILES OC(=O)c1ccc(CN(CC2CC2)C(=O)c2ccc(Oc3ccccc3F)cn2)cc1
Show InChI InChI=1S/C24H21FN2O4/c25-20-3-1-2-4-22(20)31-19-11-12-21(26-13-19)23(28)27(14-16-5-6-16)15-17-7-9-18(10-8-17)24(29)30/h1-4,7-13,16H,5-6,14-15H2,(H,29,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50304580
PNG
(2-(3-(4-nitrophenoxy)phenyl)-1,3-dioxoisoindoline-...)
Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C21H12N2O7/c24-19-17-9-4-12(21(26)27)10-18(17)20(25)22(19)14-2-1-3-16(11-14)30-15-7-5-13(6-8-15)23(28)29/h1-11H,(H,26,27)
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PubMed
n/an/a 94n/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response


Bioorg Med Chem 17: 7457-64 (2009)


Article DOI: 10.1016/j.bmc.2009.09.022
BindingDB Entry DOI: 10.7270/Q2GB244M
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251737
PNG
(US10100018, Example 73 | US9464060, 73)
Show SMILES CCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2C)cc1
Show InChI InChI=1S/C24H23NO4/c1-3-25(16-18-8-10-20(11-9-18)24(27)28)23(26)19-12-14-21(15-13-19)29-22-7-5-4-6-17(22)2/h4-15H,3,16H2,1-2H3,(H,27,28)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM251749
PNG
(US10100018, Example 85 | US9464060, 85)
Show SMILES CCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ncc(Oc2ccccc2OC)cn1
Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(15-16-8-10-17(11-9-16)23(28)29)22(27)21-24-13-18(14-25-21)31-20-7-5-4-6-19(20)30-2/h4-11,13-14H,3,12,15H2,1-2H3,(H,28,29)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA5 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251737
PNG
(US10100018, Example 73 | US9464060, 73)
Show SMILES CCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2C)cc1
Show InChI InChI=1S/C24H23NO4/c1-3-25(16-18-8-10-20(11-9-18)24(27)28)23(26)19-12-14-21(15-13-19)29-22-7-5-4-6-17(22)2/h4-15H,3,16H2,1-2H3,(H,27,28)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251749
PNG
(US10100018, Example 85 | US9464060, 85)
Show SMILES CCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ncc(Oc2ccccc2OC)cn1
Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(15-16-8-10-17(11-9-16)23(28)29)22(27)21-24-13-18(14-25-21)31-20-7-5-4-6-19(20)30-2/h4-11,13-14H,3,12,15H2,1-2H3,(H,28,29)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251740
PNG
(US10100018, Example 76 | US9464060, 76)
Show SMILES CCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2Cl)cc1
Show InChI InChI=1S/C23H20ClNO4/c1-2-25(15-16-7-9-18(10-8-16)23(27)28)22(26)17-11-13-19(14-12-17)29-21-6-4-3-5-20(21)24/h3-14H,2,15H2,1H3,(H,27,28)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251740
PNG
(US10100018, Example 76 | US9464060, 76)
Show SMILES CCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2Cl)cc1
Show InChI InChI=1S/C23H20ClNO4/c1-2-25(15-16-7-9-18(10-8-16)23(27)28)22(26)17-11-13-19(14-12-17)29-21-6-4-3-5-20(21)24/h3-14H,2,15H2,1H3,(H,27,28)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251740
PNG
(US10100018, Example 76 | US9464060, 76)
Show SMILES CCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2Cl)cc1
Show InChI InChI=1S/C23H20ClNO4/c1-2-25(15-16-7-9-18(10-8-16)23(27)28)22(26)17-11-13-19(14-12-17)29-21-6-4-3-5-20(21)24/h3-14H,2,15H2,1H3,(H,27,28)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM251740
PNG
(US10100018, Example 76 | US9464060, 76)
Show SMILES CCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2Cl)cc1
Show InChI InChI=1S/C23H20ClNO4/c1-2-25(15-16-7-9-18(10-8-16)23(27)28)22(26)17-11-13-19(14-12-17)29-21-6-4-3-5-20(21)24/h3-14H,2,15H2,1H3,(H,27,28)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA5 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251749
PNG
(US10100018, Example 85 | US9464060, 85)
Show SMILES CCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ncc(Oc2ccccc2OC)cn1
Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(15-16-8-10-17(11-9-16)23(28)29)22(27)21-24-13-18(14-25-21)31-20-7-5-4-6-19(20)30-2/h4-11,13-14H,3,12,15H2,1-2H3,(H,28,29)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251749
PNG
(US10100018, Example 85 | US9464060, 85)
Show SMILES CCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ncc(Oc2ccccc2OC)cn1
Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(15-16-8-10-17(11-9-16)23(28)29)22(27)21-24-13-18(14-25-21)31-20-7-5-4-6-19(20)30-2/h4-11,13-14H,3,12,15H2,1-2H3,(H,28,29)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM251747
PNG
(US10100018, Example 83 | US9464060, 83)
Show SMILES OC(=O)c1ccc(CN(CC2CC2)C(=O)c2ncc(Oc3ccccc3F)cn2)cc1
Show InChI InChI=1S/C23H20FN3O4/c24-19-3-1-2-4-20(19)31-18-11-25-21(26-12-18)22(28)27(13-15-5-6-15)14-16-7-9-17(10-8-16)23(29)30/h1-4,7-12,15H,5-6,13-14H2,(H,29,30)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA5 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251747
PNG
(US10100018, Example 83 | US9464060, 83)
Show SMILES OC(=O)c1ccc(CN(CC2CC2)C(=O)c2ncc(Oc3ccccc3F)cn2)cc1
Show InChI InChI=1S/C23H20FN3O4/c24-19-3-1-2-4-20(19)31-18-11-25-21(26-12-18)22(28)27(13-15-5-6-15)14-16-7-9-17(10-8-16)23(29)30/h1-4,7-12,15H,5-6,13-14H2,(H,29,30)
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n/an/a 350n/an/an/an/an/a25



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM50304580
PNG
(2-(3-(4-nitrophenoxy)phenyl)-1,3-dioxoisoindoline-...)
Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C21H12N2O7/c24-19-17-9-4-12(21(26)27)10-18(17)20(25)22(19)14-2-1-3-16(11-14)30-15-7-5-13(6-8-15)23(28)29/h1-11H,(H,26,27)
UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 463n/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Antagonist activity at LPA5 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response


Bioorg Med Chem 17: 7457-64 (2009)


Article DOI: 10.1016/j.bmc.2009.09.022
BindingDB Entry DOI: 10.7270/Q2GB244M
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251747
PNG
(US10100018, Example 83 | US9464060, 83)
Show SMILES OC(=O)c1ccc(CN(CC2CC2)C(=O)c2ncc(Oc3ccccc3F)cn2)cc1
Show InChI InChI=1S/C23H20FN3O4/c24-19-3-1-2-4-20(19)31-18-11-25-21(26-12-18)22(28)27(13-15-5-6-15)14-16-7-9-17(10-8-16)23(29)30/h1-4,7-12,15H,5-6,13-14H2,(H,29,30)
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n/an/a 540n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251747
PNG
(US10100018, Example 83 | US9464060, 83)
Show SMILES OC(=O)c1ccc(CN(CC2CC2)C(=O)c2ncc(Oc3ccccc3F)cn2)cc1
Show InChI InChI=1S/C23H20FN3O4/c24-19-3-1-2-4-20(19)31-18-11-25-21(26-12-18)22(28)27(13-15-5-6-15)14-16-7-9-17(10-8-16)23(29)30/h1-4,7-12,15H,5-6,13-14H2,(H,29,30)
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n/an/a 540n/an/an/an/an/a25



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50304580
PNG
(2-(3-(4-nitrophenoxy)phenyl)-1,3-dioxoisoindoline-...)
Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C21H12N2O7/c24-19-17-9-4-12(21(26)27)10-18(17)20(25)22(19)14-2-1-3-16(11-14)30-15-7-5-13(6-8-15)23(28)29/h1-11H,(H,26,27)
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n/an/a 752n/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Antagonist activity at LPA3 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response


Bioorg Med Chem 17: 7457-64 (2009)


Article DOI: 10.1016/j.bmc.2009.09.022
BindingDB Entry DOI: 10.7270/Q2GB244M
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM50388091
PNG
(CHEMBL2058156)
Show SMILES COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H23ClN2O3/c1-29-18-9-5-8-17(13-18)26-22(14-21(25-26)23(27)28)16-10-11-19(20(24)12-16)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,27,28)
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n/an/a 800n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA5 receptor expressed in rat RH7777 cells assessed as inhibition of hexadecyl-LPA-induced effect


Bioorg Med Chem Lett 22: 5239-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.057
BindingDB Entry DOI: 10.7270/Q2J1047Q
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM50388091
PNG
(CHEMBL2058156)
Show SMILES COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H23ClN2O3/c1-29-18-9-5-8-17(13-18)26-22(14-21(25-26)23(27)28)16-10-11-19(20(24)12-16)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,27,28)
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n/an/a 800n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Antagonist activity at LPA5 receptor in human washed platelets assessed as inhibition of hexadecyl-LPA-induced platelet aggregation after 3 mins


Bioorg Med Chem Lett 22: 5239-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.057
BindingDB Entry DOI: 10.7270/Q2J1047Q
More data for this
Ligand-Target Pair
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