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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50038256   
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 Edg-4


(Homo sapiens)
BDBM50373826
PNG
(CHEMBL256470)
Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C20H23Cl2N5O2S2/c1-13-11-30-19-18(13)23-12-24-20(19)25-14(2)10-26-5-7-27(8-6-26)31(28,29)15-3-4-16(21)17(22)9-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,23,24,25)/t14-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50373827
PNG
(CHEMBL270865)
Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C20H24ClN5O2S2/c1-14-12-29-19-18(14)22-13-23-20(19)24-15(2)11-25-6-8-26(9-7-25)30(27,28)17-5-3-4-16(21)10-17/h3-5,10,12-13,15H,6-9,11H2,1-2H3,(H,22,23,24)/t15-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50373831
PNG
(CHEMBL272087)
Show SMILES COc1cc(OC)cc(c1)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C32H31NO6/c1-37-27-19-25(20-28(21-27)38-2)31(34)33(18-8-11-23-9-4-3-5-10-23)22-24-14-16-26(17-15-24)39-30-13-7-6-12-29(30)32(35)36/h3-7,9-10,12-17,19-21H,8,11,18,22H2,1-2H3,(H,35,36)
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n/an/a 40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA3 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50373818
PNG
(CHEMBL404575)
Show SMILES CC(OC(=O)Nc1c(C)noc1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H18N2O3/c1-13-17(18(24-21-13)16-11-7-4-8-12-16)20-19(22)23-14(2)15-9-5-3-6-10-15/h3-12,14H,1-2H3,(H,20,22)
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n/an/a 50n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50373815
PNG
(CHEMBL401756)
Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C21H27N5O2S2/c1-15-4-6-18(7-5-15)30(27,28)26-10-8-25(9-11-26)12-17(3)24-21-20-19(22-14-23-21)16(2)13-29-20/h4-7,13-14,17H,8-12H2,1-3H3,(H,22,23,24)/t17-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50373817
PNG
(CHEMBL404452)
Show SMILES C[C@@H](CN1CCN(CC1)c1ccccc1C)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C21H27N5S/c1-15-6-4-5-7-18(15)26-10-8-25(9-11-26)12-17(3)24-21-20-19(22-14-23-21)16(2)13-27-20/h4-7,13-14,17H,8-12H2,1-3H3,(H,22,23,24)/t17-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50373828
PNG
(CHEMBL427893)
Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1cccc(C)c1)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C21H27N5O2S2/c1-15-5-4-6-18(11-15)30(27,28)26-9-7-25(8-10-26)12-17(3)24-21-20-19(22-14-23-21)16(2)13-29-20/h4-6,11,13-14,17H,7-10,12H2,1-3H3,(H,22,23,24)/t17-/m0/s1
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n/an/a 310n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50373829
PNG
(CHEMBL429681)
Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccccc1C)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C21H27N5O2S2/c1-15-6-4-5-7-18(15)30(27,28)26-10-8-25(9-11-26)12-17(3)24-21-20-19(22-14-23-21)16(2)13-29-20/h4-7,13-14,17H,8-12H2,1-3H3,(H,22,23,24)/t17-/m0/s1
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n/an/a 730n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50373821
PNG
(CHEMBL401747)
Show SMILES C[C@@H](CN1CCN(CC1)c1ccccc1C)Nc1nc(nc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C23H26F3N5/c1-16-7-3-6-10-20(16)31-13-11-30(12-14-31)15-17(2)27-21-18-8-4-5-9-19(18)28-22(29-21)23(24,25)26/h3-10,17H,11-15H2,1-2H3,(H,27,28,29)/t17-/m0/s1
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n/an/a 730n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50373814
PNG
(CHEMBL270877)
Show SMILES COc1ccccc1N1CCN(C[C@H](C)Nc2nc(nc3ccccc23)C(F)(F)F)CC1
Show InChI InChI=1S/C23H26F3N5O/c1-16(15-30-11-13-31(14-12-30)19-9-5-6-10-20(19)32-2)27-21-17-7-3-4-8-18(17)28-22(29-21)23(24,25)26/h3-10,16H,11-15H2,1-2H3,(H,27,28,29)/t16-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50373819
PNG
(CHEMBL402218)
Show SMILES CC(CN1CCN(CC1)c1ccc(F)cc1)Nc1nc(nc2ccccc12)C1CC1
Show InChI InChI=1S/C24H28FN5/c1-17(16-29-12-14-30(15-13-29)20-10-8-19(25)9-11-20)26-24-21-4-2-3-5-22(21)27-23(28-24)18-6-7-18/h2-5,8-11,17-18H,6-7,12-16H2,1H3,(H,26,27,28)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 assessed as inhibition of LPA-induced Ca2+ flux


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50373830
PNG
(CHEMBL401543)
Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)Cc1ccccc1)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C21H27N5O2S2/c1-16-13-29-20-19(16)22-15-23-21(20)24-17(2)12-25-8-10-26(11-9-25)30(27,28)14-18-6-4-3-5-7-18/h3-7,13,15,17H,8-12,14H2,1-2H3,(H,22,23,24)/t17-/m0/s1
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n/an/a 1.86E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50373820
PNG
(CHEMBL270878)
Show SMILES COc1ccccc1N1CCN(C[C@H](C)Nc2nc(nc3ccccc23)C2CC2)CC1
Show InChI InChI=1S/C25H31N5O/c1-18(17-29-13-15-30(16-14-29)22-9-5-6-10-23(22)31-2)26-25-20-7-3-4-8-21(20)27-24(28-25)19-11-12-19/h3-10,18-19H,11-17H2,1-2H3,(H,26,27,28)/t18-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50373816
PNG
(CHEMBL270237)
Show SMILES CCCCS(=O)(=O)N1CCN(C[C@H](C)Nc2ncnc3c(C)csc23)CC1
Show InChI InChI=1S/C18H29N5O2S2/c1-4-5-10-27(24,25)23-8-6-22(7-9-23)11-15(3)21-18-17-16(19-13-20-18)14(2)12-26-17/h12-13,15H,4-11H2,1-3H3,(H,19,20,21)/t15-/m0/s1
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n/an/a 6.61E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50373818
PNG
(CHEMBL404575)
Show SMILES CC(OC(=O)Nc1c(C)noc1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H18N2O3/c1-13-17(18(24-21-13)16-11-7-4-8-12-16)20-19(22)23-14(2)15-9-5-3-6-10-15/h3-12,14H,1-2H3,(H,20,22)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA3 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50373822
PNG
(CHEMBL257899)
Show SMILES COc1ccccc1N1CCN(CC(C)(C)Nc2nc(nc3ccccc23)C(F)(F)F)CC1
Show InChI InChI=1S/C24H28F3N5O/c1-23(2,16-31-12-14-32(15-13-31)19-10-6-7-11-20(19)33-3)30-21-17-8-4-5-9-18(17)28-22(29-21)24(25,26)27/h4-11H,12-16H2,1-3H3,(H,28,29,30)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50373823
PNG
(CHEMBL406676)
Show SMILES CC[C@@H](CN1CCN(CC1)c1ccccc1OC)Nc1nc(nc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C24H28F3N5O/c1-3-17(16-31-12-14-32(15-13-31)20-10-6-7-11-21(20)33-2)28-22-18-8-4-5-9-19(18)29-23(30-22)24(25,26)27/h4-11,17H,3,12-16H2,1-2H3,(H,28,29,30)/t17-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50373824
PNG
(CHEMBL272352)
Show SMILES COc1ccccc1N1CCN(CCNc2nc(nc3ccccc23)C(F)(F)F)CC1
Show InChI InChI=1S/C22H24F3N5O/c1-31-19-9-5-4-8-18(19)30-14-12-29(13-15-30)11-10-26-20-16-6-2-3-7-17(16)27-21(28-20)22(23,24)25/h2-9H,10-15H2,1H3,(H,26,27,28)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50373825
PNG
(CHEMBL256478)
Show SMILES COc1ccccc1N1CCN(C[C@@H](C)Nc2nc(nc3ccccc23)C(F)(F)F)CC1
Show InChI InChI=1S/C23H26F3N5O/c1-16(15-30-11-13-31(14-12-30)19-9-5-6-10-20(19)32-2)27-21-17-7-3-4-8-18(17)28-22(29-21)23(24,25)26/h3-10,16H,11-15H2,1-2H3,(H,27,28,29)/t16-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50373818
PNG
(CHEMBL404575)
Show SMILES CC(OC(=O)Nc1c(C)noc1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H18N2O3/c1-13-17(18(24-21-13)16-11-7-4-8-12-16)20-19(22)23-14(2)15-9-5-3-6-10-15/h3-12,14H,1-2H3,(H,20,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50373817
PNG
(CHEMBL404452)
Show SMILES C[C@@H](CN1CCN(CC1)c1ccccc1C)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C21H27N5S/c1-15-6-4-5-7-18(15)26-10-8-25(9-11-26)12-17(3)24-21-20-19(22-14-23-21)16(2)13-27-20/h4-7,13-14,17H,8-12H2,1-3H3,(H,22,23,24)/t17-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA3 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50373826
PNG
(CHEMBL256470)
Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C20H23Cl2N5O2S2/c1-13-11-30-19-18(13)23-12-24-20(19)25-14(2)10-26-5-7-27(8-6-26)31(28,29)15-3-4-16(21)17(22)9-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,23,24,25)/t14-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50373831
PNG
(CHEMBL272087)
Show SMILES COc1cc(OC)cc(c1)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C32H31NO6/c1-37-27-19-25(20-28(21-27)38-2)31(34)33(18-8-11-23-9-4-3-5-10-23)22-24-14-16-26(17-15-24)39-30-13-7-6-12-29(30)32(35)36/h3-7,9-10,12-17,19-21H,8,11,18,22H2,1-2H3,(H,35,36)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50373826
PNG
(CHEMBL256470)
Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C20H23Cl2N5O2S2/c1-13-11-30-19-18(13)23-12-24-20(19)25-14(2)10-26-5-7-27(8-6-26)31(28,29)15-3-4-16(21)17(22)9-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,23,24,25)/t14-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA3 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50373817
PNG
(CHEMBL404452)
Show SMILES C[C@@H](CN1CCN(CC1)c1ccccc1C)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C21H27N5S/c1-15-6-4-5-7-18(15)26-10-8-25(9-11-26)12-17(3)24-21-20-19(22-14-23-21)16(2)13-27-20/h4-7,13-14,17H,8-12H2,1-3H3,(H,22,23,24)/t17-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50373831
PNG
(CHEMBL272087)
Show SMILES COc1cc(OC)cc(c1)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C32H31NO6/c1-37-27-19-25(20-28(21-27)38-2)31(34)33(18-8-11-23-9-4-3-5-10-23)22-24-14-16-26(17-15-24)39-30-13-7-6-12-29(30)32(35)36/h3-7,9-10,12-17,19-21H,8,11,18,22H2,1-2H3,(H,35,36)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair