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Compile Data Set for Download or QSAR

Found 320 hits Enz. Inhib. hit(s) with Target = 'Lysophosphatidic acid receptor Edg-2'   
Target
(Institution)
LigandTarget
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 (LPAR1)


(Homo sapiens (Human))
BDBM251697
PNG
(US9464060, 33)
Show SMILES COc1ccccc1Oc1ccc(cc1)C(=O)N(CCCc1cccc(F)c1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H28FNO5/c1-37-28-9-2-3-10-29(28)38-27-17-15-24(16-18-27)30(34)33(19-5-7-22-6-4-8-26(32)20-22)21-23-11-13-25(14-12-23)31(35)36/h2-4,6,8-18,20H,5,7,19,21H2,1H3,(H,35,36)
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n/an/a 0.300n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251681
PNG
(US9464060, 17)
Show SMILES OC(=O)c1ccc(CN(CCCc2cccc(F)c2)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
Show InChI InChI=1S/C30H25F2NO4/c31-25-7-3-5-21(19-25)6-4-18-33(20-22-10-12-24(13-11-22)30(35)36)29(34)23-14-16-26(17-15-23)37-28-9-2-1-8-27(28)32/h1-3,5,7-17,19H,4,6,18,20H2,(H,35,36)
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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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251682
PNG
(US9464060, 18)
Show SMILES OC(=O)c1ccc(CN(CC2CC2c2ccccc2)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
Show InChI InChI=1/C31H26FNO4/c32-28-8-4-5-9-29(28)37-26-16-14-23(15-17-26)30(34)33(19-21-10-12-24(13-11-21)31(35)36)20-25-18-27(25)22-6-2-1-3-7-22/h1-17,25,27H,18-20H2,(H,35,36)
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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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251696
PNG
(US9464060, 32)
Show SMILES COc1ccccc1Oc1ccc(cc1)C(=O)N(CCCc1ccccc1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H29NO5/c1-36-28-11-5-6-12-29(28)37-27-19-17-25(18-20-27)30(33)32(21-7-10-23-8-3-2-4-9-23)22-24-13-15-26(16-14-24)31(34)35/h2-6,8-9,11-20H,7,10,21-22H2,1H3,(H,34,35)
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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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251678
PNG
(US9464060, 14)
Show SMILES COc1ccc(CN(Cc2ccc(cc2)C(O)=O)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
Show InChI InChI=1S/C29H24FNO5/c1-35-24-14-8-21(9-15-24)19-31(18-20-6-10-23(11-7-20)29(33)34)28(32)22-12-16-25(17-13-22)36-27-5-3-2-4-26(27)30/h2-17H,18-19H2,1H3,(H,33,34)
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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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251725
PNG
(US9464060, 61)
Show SMILES COc1ccccc1Oc1ccc(cc1)C(=O)N(Cc1ccc(cc1)C(O)=O)CC(F)(F)F
Show InChI InChI=1S/C24H20F3NO5/c1-32-20-4-2-3-5-21(20)33-19-12-10-17(11-13-19)22(29)28(15-24(25,26)27)14-16-6-8-18(9-7-16)23(30)31/h2-13H,14-15H2,1H3,(H,30,31)
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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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251677
PNG
(US9464060, 13)
Show SMILES COc1cccc(CN(Cc2ccc(cc2)C(O)=O)C(=O)c2ccc(Oc3ccccc3F)cc2)c1
Show InChI InChI=1S/C29H24FNO5/c1-35-25-6-4-5-21(17-25)19-31(18-20-9-11-23(12-10-20)29(33)34)28(32)22-13-15-24(16-14-22)36-27-8-3-2-7-26(27)30/h2-17H,18-19H2,1H3,(H,33,34)
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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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251695
PNG
(US9464060, 31)
Show SMILES COc1ccccc1Oc1ccc(cc1)C(=O)N(CC1CC1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H25NO5/c1-31-23-4-2-3-5-24(23)32-22-14-12-20(13-15-22)25(28)27(16-18-6-7-18)17-19-8-10-21(11-9-19)26(29)30/h2-5,8-15,18H,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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251729
PNG
(US9464060, 65)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)OC)C(=O)c1ccc(Oc2ccccc2OC)cc1
Show InChI InChI=1S/C27H29NO5/c1-4-5-18-28(19-20-10-12-22(13-11-20)27(30)32-3)26(29)21-14-16-23(17-15-21)33-25-9-7-6-8-24(25)31-2/h6-17H,4-5,18-19H2,1-3H3
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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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251726
PNG
(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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251675
PNG
(US9464060, 11)
Show SMILES OC(=O)c1ccc(CN(Cc2ccccc2)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
Show InChI InChI=1S/C28H22FNO4/c29-25-8-4-5-9-26(25)34-24-16-14-22(15-17-24)27(31)30(18-20-6-2-1-3-7-20)19-21-10-12-23(13-11-21)28(32)33/h1-17H,18-19H2,(H,32,33)
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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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251731
PNG
(US9464060, 67)
Show SMILES COc1cccc(F)c1Oc1ccc(cc1)C(=O)N(CC1CC1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H24FNO5/c1-32-23-4-2-3-22(27)24(23)33-21-13-11-19(12-14-21)25(29)28(15-17-5-6-17)16-18-7-9-20(10-8-18)26(30)31/h2-4,7-14,17H,5-6,15-16H2,1H3,(H,30,31)
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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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251730
PNG
(US9464060, 66)
Show SMILES COc1ccccc1Oc1ccc(C(=O)N(CC2CC2)Cc2ccc(cc2)C(O)=O)c(F)c1
Show InChI InChI=1S/C26H24FNO5/c1-32-23-4-2-3-5-24(23)33-20-12-13-21(22(27)14-20)25(29)28(15-17-6-7-17)16-18-8-10-19(11-9-18)26(30)31/h2-5,8-14,17H,6-7,15-16H2,1H3,(H,30,31)
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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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251727
PNG
(US9464060, 63)
Show SMILES COc1ccccc1Oc1ccc(cc1)C(=O)N(Cc1ccc(cc1)C(O)=O)CC(C)(F)F
Show InChI InChI=1S/C25H23F2NO5/c1-25(26,27)16-28(15-17-7-9-19(10-8-17)24(30)31)23(29)18-11-13-20(14-12-18)33-22-6-4-3-5-21(22)32-2/h3-14H,15-16H2,1-2H3,(H,30,31)
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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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251683
PNG
(US9464060, 19)
Show SMILES O[C@H](CN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2F)cc1)Cc1ccccc1
Show InChI InChI=1/C30H26FNO5/c31-27-8-4-5-9-28(27)37-26-16-14-23(15-17-26)29(34)32(19-22-10-12-24(13-11-22)30(35)36)20-25(33)18-21-6-2-1-3-7-21/h1-17,25,33H,18-20H2,(H,35,36)/t25-/s2
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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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251728
PNG
(US9464060, 64)
Show SMILES COc1ccccc1Oc1ccc(cc1)C(=O)N(CCC(F)(F)F)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H22F3NO5/c1-33-21-4-2-3-5-22(21)34-20-12-10-18(11-13-20)23(30)29(15-14-25(26,27)28)16-17-6-8-19(9-7-17)24(31)32/h2-13H,14-16H2,1H3,(H,31,32)
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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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251688
PNG
(US9464060, 24)
Show SMILES Cc1ccccc1Oc1ccc(cc1)C(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H25NO4/c1-21-7-5-6-10-27(21)34-26-17-15-24(16-18-26)28(31)30(19-22-8-3-2-4-9-22)20-23-11-13-25(14-12-23)29(32)33/h2-18H,19-20H2,1H3,(H,32,33)
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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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251684
PNG
(US9464060, 20)
Show SMILES O[C@@H](CN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2F)cc1)Cc1ccccc1
Show InChI InChI=1/C30H26FNO5/c31-27-8-4-5-9-28(27)37-26-16-14-23(15-17-26)29(34)32(19-22-10-12-24(13-11-22)30(35)36)20-25(33)18-21-6-2-1-3-7-21/h1-17,25,33H,18-20H2,(H,35,36)/t25-/s2
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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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251694
PNG
(US9464060, 30)
Show SMILES COc1ccccc1Oc1ccc(cc1)C(=O)N(CC(C)C)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H27NO5/c1-18(2)16-27(17-19-8-10-21(11-9-19)26(29)30)25(28)20-12-14-22(15-13-20)32-24-7-5-4-6-23(24)31-3/h4-15,18H,16-17H2,1-3H3,(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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251733
PNG
(US9464060, 69)
Show SMILES COc1ccccc1Oc1ccc(nc1)C(=O)N(CC1CC1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H24N2O5/c1-31-22-4-2-3-5-23(22)32-20-12-13-21(26-14-20)24(28)27(15-17-6-7-17)16-18-8-10-19(11-9-18)25(29)30/h2-5,8-14,17H,6-7,15-16H2,1H3,(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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251732
PNG
(US9464060, 68)
Show SMILES COc1cc(F)ccc1Oc1ccc(cc1)C(=O)N(CC1CC1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H24FNO5/c1-32-24-14-21(27)10-13-23(24)33-22-11-8-19(9-12-22)25(29)28(15-17-2-3-17)16-18-4-6-20(7-5-18)26(30)31/h4-14,17H,2-3,15-16H2,1H3,(H,30,31)
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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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251689
PNG
(US9464060, 25)
Show SMILES Cc1ccccc1Oc1ccc(cc1)C(=O)N(CCc1ccccc1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H27NO4/c1-22-7-5-6-10-28(22)35-27-17-15-25(16-18-27)29(32)31(20-19-23-8-3-2-4-9-23)21-24-11-13-26(14-12-24)30(33)34/h2-18H,19-21H2,1H3,(H,33,34)
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n/an/a 14n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398093
PNG
(CHEMBL2182046 | US9321738, 6)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F3N4O4/c1-17(21-4-3-5-23(16-21)29(30,31)32)40-27(39)33-25-24(34-35-36(25)2)20-8-6-18(7-9-20)19-10-12-22(13-11-19)28(14-15-28)26(37)38/h3-13,16-17H,14-15H2,1-2H3,(H,33,39)(H,37,38)/t17-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251722
PNG
(US9464060, 58)
Show SMILES COc1ccccc1O[C@H]1CC[C@@H](CC1)C(=O)N(CCCc1cccc(F)c1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1/C31H34FNO5/c1-37-28-9-2-3-10-29(28)38-27-17-15-24(16-18-27)30(34)33(19-5-7-22-6-4-8-26(32)20-22)21-23-11-13-25(14-12-23)31(35)36/h2-4,6,8-14,20,24,27H,5,7,15-19,21H2,1H3,(H,35,36)/t24-,27-
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n/an/a 17n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398094
PNG
(CHEMBL2182044 | US9321738, 11)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1F)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C28H25FN4O4/c1-17(18-6-4-3-5-7-18)37-27(36)30-25-24(31-32-33(25)2)22-13-10-20(16-23(22)29)19-8-11-21(12-9-19)28(14-15-28)26(34)35/h3-13,16-17H,14-15H2,1-2H3,(H,30,36)(H,34,35)/t17-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


US Patent US9321738 (2016)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398093
PNG
(CHEMBL2182046 | US9321738, 6)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F3N4O4/c1-17(21-4-3-5-23(16-21)29(30,31)32)40-27(39)33-25-24(34-35-36(25)2)20-8-6-18(7-9-20)19-10-12-22(13-11-19)28(14-15-28)26(37)38/h3-13,16-17H,14-15H2,1-2H3,(H,33,39)(H,37,38)/t17-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


US Patent US9321738 (2016)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398095
PNG
(CHEMBL2182043 | US9321738, 2)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C28H26N4O4/c1-18(19-6-4-3-5-7-19)36-27(35)29-25-24(30-31-32(25)2)22-10-8-20(9-11-22)21-12-14-23(15-13-21)28(16-17-28)26(33)34/h3-15,18H,16-17H2,1-2H3,(H,29,35)(H,33,34)/t18-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


US Patent US9321738 (2016)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398095
PNG
(CHEMBL2182043 | US9321738, 2)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C28H26N4O4/c1-18(19-6-4-3-5-7-19)36-27(35)29-25-24(30-31-32(25)2)22-10-8-20(9-11-22)21-12-14-23(15-13-21)28(16-17-28)26(33)34/h3-15,18H,16-17H2,1-2H3,(H,29,35)(H,33,34)/t18-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398094
PNG
(CHEMBL2182044 | US9321738, 11)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1F)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C28H25FN4O4/c1-17(18-6-4-3-5-7-18)37-27(36)30-25-24(31-32-33(25)2)22-13-10-20(16-23(22)29)19-8-11-21(12-9-19)28(14-15-28)26(34)35/h3-13,16-17H,14-15H2,1-2H3,(H,30,36)(H,34,35)/t17-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398091
PNG
(CHEMBL2182049 | US9321738, 12)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)NS(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C29H29N5O5S/c1-19(20-7-5-4-6-8-20)39-28(36)30-26-25(31-33-34(26)2)23-11-9-21(10-12-23)22-13-15-24(16-14-22)29(17-18-29)27(35)32-40(3,37)38/h4-16,19H,17-18H2,1-3H3,(H,30,36)(H,32,35)/t19-/m1/s1
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n/an/a 18.8n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


US Patent US9321738 (2016)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398091
PNG
(CHEMBL2182049 | US9321738, 12)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)NS(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C29H29N5O5S/c1-19(20-7-5-4-6-8-20)39-28(36)30-26-25(31-33-34(26)2)23-11-9-21(10-12-23)22-13-15-24(16-14-22)29(17-18-29)27(35)32-40(3,37)38/h4-16,19H,17-18H2,1-3H3,(H,30,36)(H,32,35)/t19-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251710
PNG
(US9464060, 46)
Show SMILES Cc1cccc(C)c1Oc1ccc(cc1)C(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H27NO4/c1-21-7-6-8-22(2)28(21)35-27-17-15-25(16-18-27)29(32)31(19-23-9-4-3-5-10-23)20-24-11-13-26(14-12-24)30(33)34/h3-18H,19-20H2,1-2H3,(H,33,34)
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n/an/a 19n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398101
PNG
(CHEMBL2182063)
Show SMILES C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C29H27N3O4/c1-19(20-6-4-3-5-7-20)36-28(35)31-26-25(18-30-32(26)2)23-10-8-21(9-11-23)22-12-14-24(15-13-22)29(16-17-29)27(33)34/h3-15,18-19H,16-17H2,1-2H3,(H,31,35)(H,33,34)/t19-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 in human lung fibroblasts assessed as inhibition of LPA-induced contraction after 18 hrs by 3D collagen gel contraction a...


J Med Chem 55: 7920-39 (2012)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398095
PNG
(CHEMBL2182043 | US9321738, 2)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C28H26N4O4/c1-18(19-6-4-3-5-7-19)36-27(35)29-25-24(30-31-32(25)2)22-10-8-20(9-11-22)21-12-14-23(15-13-21)28(16-17-28)26(33)34/h3-15,18H,16-17H2,1-2H3,(H,29,35)(H,33,34)/t18-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 in human lung fibroblasts assessed as inhibition of LPA-induced contraction after 18 hrs by 3D collagen gel contraction a...


J Med Chem 55: 7920-39 (2012)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398094
PNG
(CHEMBL2182044 | US9321738, 11)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1F)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C28H25FN4O4/c1-17(18-6-4-3-5-7-18)37-27(36)30-25-24(31-32-33(25)2)22-13-10-20(16-23(22)29)19-8-11-21(12-9-19)28(14-15-28)26(34)35/h3-13,16-17H,14-15H2,1-2H3,(H,30,36)(H,34,35)/t17-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 in human lung fibroblasts assessed as inhibition of LPA-induced contraction after 18 hrs by 3D collagen gel contraction a...


J Med Chem 55: 7920-39 (2012)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398101
PNG
(CHEMBL2182063)
Show SMILES C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C29H27N3O4/c1-19(20-6-4-3-5-7-20)36-28(35)31-26-25(18-30-32(26)2)23-10-8-21(9-11-23)22-12-14-24(15-13-22)29(16-17-29)27(33)34/h3-15,18-19H,16-17H2,1-2H3,(H,31,35)(H,33,34)/t19-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251711
PNG
(US9464060, 47)
Show SMILES Cc1cccc(C)c1Oc1ccc(cc1)C(=O)N(CCc1ccccc1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H29NO4/c1-22-7-6-8-23(2)29(22)36-28-17-15-26(16-18-28)30(33)32(20-19-24-9-4-3-5-10-24)21-25-11-13-27(14-12-25)31(34)35/h3-18H,19-21H2,1-2H3,(H,34,35)
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n/an/a 22n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398115
PNG
(CHEMBL2182038)
Show SMILES C[C@@H](OC(=O)Nc1c(C)nnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)c1nnn[nH]1)c1ccccc1
Show InChI InChI=1S/C28H26N8O2/c1-18-25(29-27(37)38-19(2)20-6-4-3-5-7-20)36(35-30-18)24-14-10-22(11-15-24)21-8-12-23(13-9-21)28(16-17-28)26-31-33-34-32-26/h3-15,19H,16-17H2,1-2H3,(H,29,37)(H,31,32,33,34)/t19-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251700
PNG
(US9464060, 36)
Show SMILES OC(=O)c1ccc(CN(CCc2ccccc2)C(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1
Show InChI InChI=1S/C29H24ClNO4/c30-26-8-4-5-9-27(26)35-25-16-14-23(15-17-25)28(32)31(19-18-21-6-2-1-3-7-21)20-22-10-12-24(13-11-22)29(33)34/h1-17H,18-20H2,(H,33,34)
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n/an/a 24n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398090
PNG
(CHEMBL2182050 | US9321738, 13)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)NS(C)(=O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H28F3N5O5S/c1-18(22-5-4-6-24(17-22)30(31,32)33)43-28(40)34-26-25(35-37-38(26)2)21-9-7-19(8-10-21)20-11-13-23(14-12-20)29(15-16-29)27(39)36-44(3,41)42/h4-14,17-18H,15-16H2,1-3H3,(H,34,40)(H,36,39)/t18-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398100
PNG
(CHEMBL2182064)
Show SMILES C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1F
Show InChI InChI=1S/C29H26FN3O4/c1-18(23-5-3-4-6-25(23)30)37-28(36)32-26-24(17-31-33(26)2)21-9-7-19(8-10-21)20-11-13-22(14-12-20)29(15-16-29)27(34)35/h3-14,17-18H,15-16H2,1-2H3,(H,32,36)(H,34,35)/t18-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398090
PNG
(CHEMBL2182050 | US9321738, 13)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)NS(C)(=O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H28F3N5O5S/c1-18(22-5-4-6-24(17-22)30(31,32)33)43-28(40)34-26-25(35-37-38(26)2)21-9-7-19(8-10-21)20-11-13-23(14-12-20)29(15-16-29)27(39)36-44(3,41)42/h4-14,17-18H,15-16H2,1-3H3,(H,34,40)(H,36,39)/t18-/m1/s1
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n/an/a 24.5n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


US Patent US9321738 (2016)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251701
PNG
(US9464060, 37)
Show SMILES OC(=O)c1ccc(CN(CC2CC2)C(=O)c2ccc(Oc3c(F)cccc3F)cc2)cc1
Show InChI InChI=1S/C25H21F2NO4/c26-21-2-1-3-22(27)23(21)32-20-12-10-18(11-13-20)24(29)28(14-16-4-5-16)15-17-6-8-19(9-7-17)25(30)31/h1-3,6-13,16H,4-5,14-15H2,(H,30,31)
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n/an/a 25n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398123
PNG
(CHEMBL2182029)
Show SMILES C[C@@H](OC(=O)Nc1c(C)nnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C28H26N4O4/c1-18-25(29-27(35)36-19(2)20-6-4-3-5-7-20)32(31-30-18)24-14-10-22(11-15-24)21-8-12-23(13-9-21)28(16-17-28)26(33)34/h3-15,19H,16-17H2,1-2H3,(H,29,35)(H,33,34)/t19-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251718
PNG
(US9464060, 54)
Show SMILES OC(=O)c1ccc(CN(CC2CC2)C(=O)c2ccc(Oc3ccccc3F)cc2F)cc1
Show InChI InChI=1S/C25H21F2NO4/c26-21-3-1-2-4-23(21)32-19-11-12-20(22(27)13-19)24(29)28(14-16-5-6-16)15-17-7-9-18(10-8-17)25(30)31/h1-4,7-13,16H,5-6,14-15H2,(H,30,31)
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n/an/a 27n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50211650
PNG
(3-(4-(4-((1-(2-chlorocyclopent-1-enyl)ethoxy)carbo...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CSCCC(O)=O)cc1)C1=C(Cl)CCC1
Show InChI InChI=1S/C21H23ClN2O5S/c1-13(16-3-2-4-17(16)22)29-21(27)23-18-11-28-24-20(18)15-7-5-14(6-8-15)12-30-10-9-19(25)26/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,23,27)(H,25,26)
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n/an/a 29n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor in rat hepatic stellate cells assessed as inhibition of lysophosphatidic acid-induced intracellular calcium infl...


Bioorg Med Chem Lett 17: 3736-40 (2007)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251736
PNG
(US9464060, 72)
Show SMILES OC(=O)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1
Show InChI InChI=1S/C23H17ClF3NO4/c24-19-3-1-2-4-20(19)32-18-11-9-16(10-12-18)21(29)28(14-23(25,26)27)13-15-5-7-17(8-6-15)22(30)31/h1-12H,13-14H2,(H,30,31)
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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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251686
PNG
(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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM251739
PNG
(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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n/an/a 31n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398116
PNG
(CHEMBL2182037)
Show SMILES C[C@@H](OC(=O)Nc1c(C)nnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)NS(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C29H29N5O5S/c1-19-26(30-28(36)39-20(2)21-7-5-4-6-8-21)34(33-31-19)25-15-11-23(12-16-25)22-9-13-24(14-10-22)29(17-18-29)27(35)32-40(3,37)38/h4-16,20H,17-18H2,1-3H3,(H,30,36)(H,32,35)/t20-/m1/s1
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Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)

More data for this
Ligand-Target Pair
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