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Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'fuentes' and Initial = 'me'   
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))
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 |r|
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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(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 |r|
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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(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 |r|
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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(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 |r|
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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(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 |r|
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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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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(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 |r|
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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(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 |r|
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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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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(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 |r|
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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(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 |r|
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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(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 |r|
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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(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 |r|
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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(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 |r|
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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(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 |r|
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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n/an/a 32n/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398122
PNG
(CHEMBL2182030)
Show SMILES C[C@@H](OC(=O)Nc1c(C)nnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1F |r|
Show InChI InChI=1S/C28H25FN4O4/c1-17-25(30-27(36)37-18(2)23-5-3-4-6-24(23)29)33(32-31-17)22-13-9-20(10-14-22)19-7-11-21(12-8-19)28(15-16-28)26(34)35/h3-14,18H,15-16H2,1-2H3,(H,30,36)(H,34,35)/t18-/m1/s1
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n/an/a 35n/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398103
PNG
(CHEMBL2182061)
Show SMILES C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(CC(O)=O)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H25N3O4/c1-18(20-6-4-3-5-7-20)34-27(33)29-26-24(17-28-30(26)2)23-14-12-22(13-15-23)21-10-8-19(9-11-21)16-25(31)32/h3-15,17-18H,16H2,1-2H3,(H,29,33)(H,31,32)/t18-/m1/s1
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n/an/a 35n/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398113
PNG
(CHEMBL2182040)
Show SMILES C[C@@H](OC(=O)Nc1cnnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H24N4O4/c1-18(19-5-3-2-4-6-19)35-26(34)29-24-17-28-30-31(24)23-13-9-21(10-14-23)20-7-11-22(12-8-20)27(15-16-27)25(32)33/h2-14,17-18H,15-16H2,1H3,(H,29,34)(H,32,33)/t18-/m1/s1
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n/an/a 36n/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398126
PNG
(CHEMBL2182024)
Show SMILES CC[C@@H](C)OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O |r|
Show InChI InChI=1S/C25H27N3O4/c1-4-16(2)32-24(31)27-22-21(15-26-28(22)3)19-7-5-17(6-8-19)18-9-11-20(12-10-18)25(13-14-25)23(29)30/h5-12,15-16H,4,13-14H2,1-3H3,(H,27,31)(H,29,30)/t16-/m1/s1
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n/an/a 38n/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398098
PNG
(CHEMBL2182023)
Show SMILES C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C30H26F3N3O4/c1-18(22-4-3-5-24(16-22)30(31,32)33)40-28(39)35-26-25(17-34-36(26)2)21-8-6-19(7-9-21)20-10-12-23(13-11-20)29(14-15-29)27(37)38/h3-13,16-18H,14-15H2,1-2H3,(H,35,39)(H,37,38)/t18-/m1/s1
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n/an/a 41n/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398114
PNG
(CHEMBL2182039)
Show SMILES CCc1nnn(c1NC(=O)O[C@H](C)c1ccccc1)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O |r|
Show InChI InChI=1S/C29H28N4O4/c1-3-25-26(30-28(36)37-19(2)20-7-5-4-6-8-20)33(32-31-25)24-15-11-22(12-16-24)21-9-13-23(14-10-21)29(17-18-29)27(34)35/h4-16,19H,3,17-18H2,1-2H3,(H,30,36)(H,34,35)/t19-/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398096
PNG
(CHEMBL2182042 | US9321738, 3)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(CC(O)=O)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H24N4O4/c1-17(19-6-4-3-5-7-19)34-26(33)27-25-24(28-29-30(25)2)22-14-12-21(13-15-22)20-10-8-18(9-11-20)16-23(31)32/h3-15,17H,16H2,1-2H3,(H,27,33)(H,31,32)/t17-/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398099
PNG
(CHEMBL2182065)
Show SMILES CC(OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H26FN3O4/c1-18(19-9-13-24(30)14-10-19)37-28(36)32-26-25(17-31-33(26)2)22-5-3-20(4-6-22)21-7-11-23(12-8-21)29(15-16-29)27(34)35/h3-14,17-18H,15-16H2,1-2H3,(H,32,36)(H,34,35)
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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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398089
PNG
(CHEMBL2182051 | US9321738, 14)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)C1CCC(CC(O)=O)CC1)c1ccccc1 |r,wD:1.0,(51.8,-50.88,;51.04,-52.22,;49.5,-52.23,;48.72,-50.9,;49.48,-49.56,;47.18,-50.91,;46.4,-49.58,;44.94,-49.14,;44.9,-47.61,;46.34,-47.1,;47.28,-48.32,;48.82,-48.29,;43.57,-49.86,;43.51,-51.4,;42.15,-52.11,;40.85,-51.28,;40.92,-49.74,;42.28,-49.03,;39.48,-51.99,;39.42,-53.53,;38.05,-54.24,;36.75,-53.41,;35.38,-54.12,;34.08,-53.29,;32.71,-54,;34.15,-51.75,;36.82,-51.86,;38.19,-51.16,;51.82,-53.55,;51.06,-54.88,;51.83,-56.21,;53.38,-56.2,;54.14,-54.85,;53.35,-53.52,)|
Show InChI InChI=1S/C26H30N4O4/c1-17(19-6-4-3-5-7-19)34-26(33)27-25-24(28-29-30(25)2)22-14-12-21(13-15-22)20-10-8-18(9-11-20)16-23(31)32/h3-7,12-15,17-18,20H,8-11,16H2,1-2H3,(H,27,33)(H,31,32)/t17-,18?,20?/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(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 |r|
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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Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA3 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398112
PNG
(CHEMBL2182045 | US9321738, 7)
Show SMILES CC(C)[C@@H](C)OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O |r|
Show InChI InChI=1S/C25H28N4O4/c1-15(2)16(3)33-24(32)26-22-21(27-28-29(22)4)19-7-5-17(6-8-19)18-9-11-20(12-10-18)25(13-14-25)23(30)31/h5-12,15-16H,13-14H2,1-4H3,(H,26,32)(H,30,31)/t16-/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50023473
PNG
(CHEMBL3326527)
Show SMILES COc1ccc(C(=O)C(=N/C2CCCC2)\n2ncc(C#N)c2N)c(F)c1
Show InChI InChI=1S/C18H18FN5O2/c1-26-13-6-7-14(15(19)8-13)16(25)18(23-12-4-2-3-5-12)24-17(21)11(9-20)10-22-24/h6-8,10,12H,2-5,21H2,1H3/b23-18+
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Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1R expressed in Chem-1 cells assessed as inhibition of lysophosphatidic acid-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 24: 4450-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.001
BindingDB Entry DOI: 10.7270/Q2445P1V
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50023477
PNG
(CHEMBL3326523)
Show SMILES COc1ccc(C(=O)C(=N/C2CCCC2)\n2ncc(C#N)c2N)c(OC)c1
Show InChI InChI=1S/C19H21N5O3/c1-26-14-7-8-15(16(9-14)27-2)17(25)19(23-13-5-3-4-6-13)24-18(21)12(10-20)11-22-24/h7-9,11,13H,3-6,21H2,1-2H3/b23-19+
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Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1R expressed in Chem-1 cells assessed as inhibition of lysophosphatidic acid-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 24: 4450-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.001
BindingDB Entry DOI: 10.7270/Q2445P1V
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(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 |r|
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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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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398125
PNG
(CHEMBL2182025)
Show SMILES CC(C)[C@@H](C)OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O |r|
Show InChI InChI=1S/C26H29N3O4/c1-16(2)17(3)33-25(32)28-23-22(15-27-29(23)4)20-7-5-18(6-8-20)19-9-11-21(12-10-19)26(13-14-26)24(30)31/h5-12,15-17H,13-14H2,1-4H3,(H,28,32)(H,30,31)/t17-/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50023466
PNG
(CHEMBL3326534)
Show SMILES COc1ccc(C(=O)C(=N/C(C)C)\n2ncc(C#N)c2N)c(OC)c1
Show InChI InChI=1S/C17H19N5O3/c1-10(2)21-17(22-16(19)11(8-18)9-20-22)15(23)13-6-5-12(24-3)7-14(13)25-4/h5-7,9-10H,19H2,1-4H3/b21-17+
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Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1R expressed in Chem-1 cells assessed as inhibition of lysophosphatidic acid-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 24: 4450-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.001
BindingDB Entry DOI: 10.7270/Q2445P1V
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398121
PNG
(CHEMBL2182031)
Show SMILES C[C@@H](OC(=O)Nc1c(C)nnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C29H25F3N4O4/c1-17-25(33-27(39)40-18(2)23-5-3-4-6-24(23)29(30,31)32)36(35-34-17)22-13-9-20(10-14-22)19-7-11-21(12-8-19)28(15-16-28)26(37)38/h3-14,18H,15-16H2,1-2H3,(H,33,39)(H,37,38)/t18-/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(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 |r|
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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Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA3 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398127
PNG
(CHEMBL2182052)
Show SMILES C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(CC(O)=O)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H24N2O5/c1-17-25(28-27(32)33-18(2)20-6-4-3-5-7-20)26(34-29-17)23-14-12-22(13-15-23)21-10-8-19(9-11-21)16-24(30)31/h3-15,18H,16H2,1-2H3,(H,28,32)(H,30,31)/t18-/m1/s1
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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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50170859
PNG
(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-met...)
Show SMILES CC(OC(=O)Nc1c(C)noc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)
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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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398118
PNG
(CHEMBL2182035)
Show SMILES CC(OC(=O)Nc1c(C)nnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)C1CCC1
Show InChI InChI=1S/C26H28N4O4/c1-16-23(27-25(33)34-17(2)18-4-3-5-18)30(29-28-16)22-12-8-20(9-13-22)19-6-10-21(11-7-19)26(14-15-26)24(31)32/h6-13,17-18H,3-5,14-15H2,1-2H3,(H,27,33)(H,31,32)
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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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398097
PNG
(CHEMBL2182032)
Show SMILES C[C@@H](OC(=O)Nc1c(C)nnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C29H25F3N4O4/c1-17-25(33-27(39)40-18(2)21-4-3-5-23(16-21)29(30,31)32)36(35-34-17)24-12-8-20(9-13-24)19-6-10-22(11-7-19)28(14-15-28)26(37)38/h3-13,16,18H,14-15H2,1-2H3,(H,33,39)(H,37,38)/t18-/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398124
PNG
(CHEMBL2182026)
Show SMILES Cn1ncc(c1NC(=O)OC1CCC1)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O
Show InChI InChI=1S/C25H25N3O4/c1-28-22(27-24(31)32-20-3-2-4-20)21(15-26-28)18-7-5-16(6-8-18)17-9-11-19(12-10-17)25(13-14-25)23(29)30/h5-12,15,20H,2-4,13-14H2,1H3,(H,27,31)(H,29,30)
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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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398120
PNG
(CHEMBL2182033)
Show SMILES CC(C)[C@@H](C)OC(=O)Nc1c(C)nnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O |r|
Show InChI InChI=1S/C25H28N4O4/c1-15(2)17(4)33-24(32)26-22-16(3)27-28-29(22)21-11-7-19(8-12-21)18-5-9-20(10-6-18)25(13-14-25)23(30)31/h5-12,15,17H,13-14H2,1-4H3,(H,26,32)(H,30,31)/t17-/m1/s1
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n/an/a 217n/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398089
PNG
(CHEMBL2182051 | US9321738, 14)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)C1CCC(CC(O)=O)CC1)c1ccccc1 |r,wD:1.0,(51.8,-50.88,;51.04,-52.22,;49.5,-52.23,;48.72,-50.9,;49.48,-49.56,;47.18,-50.91,;46.4,-49.58,;44.94,-49.14,;44.9,-47.61,;46.34,-47.1,;47.28,-48.32,;48.82,-48.29,;43.57,-49.86,;43.51,-51.4,;42.15,-52.11,;40.85,-51.28,;40.92,-49.74,;42.28,-49.03,;39.48,-51.99,;39.42,-53.53,;38.05,-54.24,;36.75,-53.41,;35.38,-54.12,;34.08,-53.29,;32.71,-54,;34.15,-51.75,;36.82,-51.86,;38.19,-51.16,;51.82,-53.55,;51.06,-54.88,;51.83,-56.21,;53.38,-56.2,;54.14,-54.85,;53.35,-53.52,)|
Show InChI InChI=1S/C26H30N4O4/c1-17(19-6-4-3-5-7-19)34-26(33)27-25-24(28-29-30(25)2)22-14-12-21(13-15-22)20-10-8-18(9-11-20)16-23(31)32/h3-7,12-15,17-18,20H,8-11,16H2,1-2H3,(H,27,33)(H,31,32)/t17-,18?,20?/m1/s1
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n/an/a 220n/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(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 |r|
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 340n/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398096
PNG
(CHEMBL2182042 | US9321738, 3)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(CC(O)=O)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H24N4O4/c1-17(19-6-4-3-5-7-19)34-26(33)27-25-24(28-29-30(25)2)22-14-12-21(13-15-22)20-10-8-18(9-11-20)16-23(31)32/h3-15,17H,16H2,1-2H3,(H,27,33)(H,31,32)/t17-/m1/s1
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n/an/a 390n/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398119
PNG
(CHEMBL2182034)
Show SMILES CC[C@@H](C)OC(=O)Nc1c(C)nnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O |r|
Show InChI InChI=1S/C24H26N4O4/c1-4-15(2)32-23(31)25-21-16(3)26-27-28(21)20-11-7-18(8-12-20)17-5-9-19(10-6-17)24(13-14-24)22(29)30/h5-12,15H,4,13-14H2,1-3H3,(H,25,31)(H,29,30)/t15-/m1/s1
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n/an/a 398n/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50398098
PNG
(CHEMBL2182023)
Show SMILES C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C30H26F3N3O4/c1-18(22-4-3-5-24(16-22)30(31,32)33)40-28(39)35-26-25(17-34-36(26)2)21-8-6-19(7-9-21)20-10-12-23(13-11-20)29(14-15-29)27(37)38/h3-13,16-18H,14-15H2,1-2H3,(H,35,39)(H,37,38)/t18-/m1/s1
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n/an/a 478n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA3 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50023467
PNG
(CHEMBL3326533)
Show SMILES COc1ccc(C(=O)C(=N/C2CCCCC2)\n2ncc(C#N)c2N)c(OC)c1
Show InChI InChI=1S/C20H23N5O3/c1-27-15-8-9-16(17(10-15)28-2)18(26)20(24-14-6-4-3-5-7-14)25-19(22)13(11-21)12-23-25/h8-10,12,14H,3-7,22H2,1-2H3/b24-20+
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Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1R expressed in Chem-1 cells assessed as inhibition of lysophosphatidic acid-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 24: 4450-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.001
BindingDB Entry DOI: 10.7270/Q2445P1V
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50023476
PNG
(CHEMBL3326524)
Show SMILES CCc1ccc(cc1)C(=O)C(=N/C1CCCC1)\n1ncc(C#N)c1N
Show InChI InChI=1S/C19H21N5O/c1-2-13-7-9-14(10-8-13)17(25)19(23-16-5-3-4-6-16)24-18(21)15(11-20)12-22-24/h7-10,12,16H,2-6,21H2,1H3/b23-19+
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n/an/a 586n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1R expressed in Chem-1 cells assessed as inhibition of lysophosphatidic acid-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 24: 4450-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.001
BindingDB Entry DOI: 10.7270/Q2445P1V
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398106
PNG
(CHEMBL2182058)
Show SMILES C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccccc1F)c1ccccc1Cl |r|
Show InChI InChI=1S/C19H17ClFN3O2/c1-12(13-7-3-5-9-16(13)20)26-19(25)23-18-15(11-22-24(18)2)14-8-4-6-10-17(14)21/h3-12H,1-2H3,(H,23,25)/t12-/m1/s1
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n/an/a 644n/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50023471
PNG
(CHEMBL3326531)
Show SMILES COc1cc2ccccc2cc1C(=O)C(=N/C1CCCC1)\n1ncc(C#N)c1N
Show InChI InChI=1S/C22H21N5O2/c1-29-19-11-15-7-3-2-6-14(15)10-18(19)20(28)22(26-17-8-4-5-9-17)27-21(24)16(12-23)13-25-27/h2-3,6-7,10-11,13,17H,4-5,8-9,24H2,1H3/b26-22+
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n/an/a 805n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1R expressed in Chem-1 cells assessed as inhibition of lysophosphatidic acid-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 24: 4450-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.001
BindingDB Entry DOI: 10.7270/Q2445P1V
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50023469
PNG
(CHEMBL3326532)
Show SMILES COc1cc2CCCc2cc1C(=O)C(=N/C1CCCC1)\n1ncc(C#N)c1N
Show InChI InChI=1S/C21H23N5O2/c1-28-18-10-14-6-4-5-13(14)9-17(18)19(27)21(25-16-7-2-3-8-16)26-20(23)15(11-22)12-24-26/h9-10,12,16H,2-8,23H2,1H3/b25-21+
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n/an/a 825n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1R expressed in Chem-1 cells assessed as inhibition of lysophosphatidic acid-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 24: 4450-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.001
BindingDB Entry DOI: 10.7270/Q2445P1V
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398117
PNG
(CHEMBL2182036)
Show SMILES Cc1nnn(c1NC(=O)OC(C)(C)C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O
Show InChI InChI=1S/C24H26N4O4/c1-15-20(25-22(31)32-23(2,3)4)28(27-26-15)19-11-7-17(8-12-19)16-5-9-18(10-6-16)24(13-14-24)21(29)30/h5-12H,13-14H2,1-4H3,(H,25,31)(H,29,30)
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n/an/a 985n/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)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(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 |r|
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 2.29E+3n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA3 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(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 |r|
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 2.31E+3n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA3 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
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