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Compile Data Set for Download or QSAR

Found 21 hits of ic50 data for polymerid = 50003359,50003361   
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


(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 |c:26|
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)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Rattus norvegicus)
BDBM50572947
PNG
(CHEMBL4871014)
Show SMILES C[C@H](N1C2CCC1CC(C2)C(O)=O)c1ccc2ccc(O[C@H]3CC[C@H](CC3)C(F)(F)F)c(c2c1)C(F)(F)F |r,wU:21.22,24.29,1.0,(69.55,-51.11,;69.5,-49.57,;70.79,-48.72,;72.16,-49.41,;72.75,-48.34,;72.21,-47.11,;70.69,-47.18,;71.98,-46.34,;73.36,-47.03,;73.44,-48.57,;74.65,-46.19,;74.56,-44.65,;76.02,-46.88,;68.17,-48.8,;68.16,-47.25,;66.82,-46.49,;65.5,-47.27,;64.16,-46.5,;62.83,-47.27,;62.83,-48.82,;61.5,-49.59,;60.16,-48.82,;58.84,-49.58,;57.5,-48.8,;57.51,-47.26,;58.85,-46.5,;60.17,-47.27,;56.18,-46.48,;56.19,-44.94,;54.84,-47.25,;54.83,-45.71,;64.17,-49.59,;65.5,-48.81,;66.84,-49.58,;64.17,-51.13,;62.84,-51.9,;65.51,-51.9,;64.16,-52.66,)|
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n/an/a 47n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LPA in rat plasma after 18 hrs by LC-MS/MS analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00211
BindingDB Entry DOI: 10.7270/Q2Q81HVP
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Rattus norvegicus)
BDBM50211649
PNG
(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN2O5S/c1-14(17-4-2-3-5-18(17)23)30-22(28)24-19-12-29-25-21(19)16-8-6-15(7-9-16)13-31-11-10-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,24,28)(H,26,27)
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n/an/a 48n/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)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Rattus norvegicus)
BDBM50211647
PNG
(3-(4-(4-((1-(2-chlorocyclohex-1-enyl)ethoxy)carbon...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CSCCC(O)=O)cc1)C1=C(Cl)CCCC1 |c:26|
Show InChI InChI=1S/C22H25ClN2O5S/c1-14(17-4-2-3-5-18(17)23)30-22(28)24-19-12-29-25-21(19)16-8-6-15(7-9-16)13-31-11-10-20(26)27/h6-9,12,14H,2-5,10-11,13H2,1H3,(H,24,28)(H,26,27)
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n/an/a 56n/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)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Rattus norvegicus)
BDBM50211646
PNG
(5-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CCCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C23H23ClN2O5/c1-15(18-7-3-4-8-19(18)24)31-23(29)25-20-14-30-26-22(20)17-12-10-16(11-13-17)6-2-5-9-21(27)28/h3-4,7-8,10-15H,2,5-6,9H2,1H3,(H,25,29)(H,27,28)
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n/an/a 72n/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)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Rattus norvegicus)
BDBM50211655
PNG
(4-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(NC(=O)CCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H20ClN3O6/c1-13(16-4-2-3-5-17(16)23)32-22(30)25-18-12-31-26-21(18)14-6-8-15(9-7-14)24-19(27)10-11-20(28)29/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,25,30)(H,28,29)
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n/an/a 73n/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)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Rattus norvegicus)
BDBM50211645
PNG
(2-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CSCCS(O)(=O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O6S2/c1-14(17-4-2-3-5-18(17)22)30-21(25)23-19-12-29-24-20(19)16-8-6-15(7-9-16)13-31-10-11-32(26,27)28/h2-9,12,14H,10-11,13H2,1H3,(H,23,25)(H,26,27,28)
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n/an/a 74n/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)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Rattus norvegicus)
BDBM50211651
PNG
(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1cnoc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN2O5S/c1-14(17-4-2-3-5-18(17)23)29-22(28)25-19-12-24-30-21(19)16-8-6-15(7-9-16)13-31-11-10-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,25,28)(H,26,27)
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n/an/a 81n/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)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Rattus norvegicus)
BDBM50211648
PNG
(2-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CCSCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN2O5S/c1-14(17-4-2-3-5-18(17)23)30-22(28)24-19-12-29-25-21(19)16-8-6-15(7-9-16)10-11-31-13-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,24,28)(H,26,27)
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n/an/a 100n/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)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Rattus norvegicus)
BDBM50211653
PNG
(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CS(=O)(=O)CCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN2O7S/c1-14(17-4-2-3-5-18(17)23)32-22(28)24-19-12-31-25-21(19)16-8-6-15(7-9-16)13-33(29,30)11-10-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,24,28)(H,26,27)
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n/an/a 110n/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)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Rattus norvegicus)
BDBM50211654
PNG
(5-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CCC(C)(C)CC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C25H27ClN2O5/c1-16(19-6-4-5-7-20(19)26)33-24(31)27-21-15-32-28-23(21)18-10-8-17(9-11-18)12-13-25(2,3)14-22(29)30/h4-11,15-16H,12-14H2,1-3H3,(H,27,31)(H,29,30)
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n/an/a 120n/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)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50177339
PNG
(CHEMBL436763 | potassium ((2R,4R)-2-(heptadec-9-en...)
Show SMILES CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@H](COP(O)([O-])=O)O1
Show InChI InChI=1S/C21H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-18-20(27-21)19-26-28(22,23)24/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,24)/p-1/b9-8+/t20-,21-/m1/s1
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n/an/a 136n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor in RH7777 rat hepatoma cell line


Bioorg Med Chem Lett 16: 451-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.096
BindingDB Entry DOI: 10.7270/Q2Z89C01
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Rattus norvegicus)
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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n/an/a 160n/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)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50177337
PNG
(CHEMBL370846 | potassium ((2S,4S)-2-(heptadec-9-en...)
Show SMILES CCCCCCC\C=C\CCCCCCCC[C@H]1OC[C@@H](COP(O)([O-])=O)O1
Show InChI InChI=1S/C21H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-18-20(27-21)19-26-28(22,23)24/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,24)/p-1/b9-8+/t20-,21-/m0/s1
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n/an/a 209n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor in RH7777 rat hepatoma cell line


Bioorg Med Chem Lett 16: 451-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.096
BindingDB Entry DOI: 10.7270/Q2Z89C01
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50177337
PNG
(CHEMBL370846 | potassium ((2S,4S)-2-(heptadec-9-en...)
Show SMILES CCCCCCC\C=C\CCCCCCCC[C@H]1OC[C@@H](COP(O)([O-])=O)O1
Show InChI InChI=1S/C21H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-18-20(27-21)19-26-28(22,23)24/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,24)/p-1/b9-8+/t20-,21-/m0/s1
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n/an/a 209n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor in RH7777 rat hepatoma cell line


Bioorg Med Chem Lett 16: 451-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.096
BindingDB Entry DOI: 10.7270/Q2Z89C01
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50177340
PNG
(CHEMBL382116 | potassium ((2R,4S)-2-(heptadec-9-en...)
Show SMILES CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@@H](COP(O)([O-])=O)O1
Show InChI InChI=1S/C21H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-18-20(27-21)19-26-28(22,23)24/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,24)/p-1/b9-8+/t20-,21+/m0/s1
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n/an/a 484n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor in RH7777 rat hepatoma cell line


Bioorg Med Chem Lett 16: 451-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.096
BindingDB Entry DOI: 10.7270/Q2Z89C01
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50177329
PNG
(CHEMBL199380 | potassium (2-(6-(4-octylphenyl)hexy...)
Show SMILES CCCCCCCCc1ccc(CCCCCCC2OCC(COP(O)([O-])=O)O2)cc1
Show InChI InChI=1S/C24H41O6P/c1-2-3-4-5-6-9-12-21-15-17-22(18-16-21)13-10-7-8-11-14-24-28-19-23(30-24)20-29-31(25,26)27/h15-18,23-24H,2-14,19-20H2,1H3,(H2,25,26,27)/p-1
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n/an/a 504n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor in RH7777 rat hepatoma cell line


Bioorg Med Chem Lett 16: 451-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.096
BindingDB Entry DOI: 10.7270/Q2Z89C01
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Rattus norvegicus)
BDBM50177336
PNG
(CHEMBL373007 | potassium (2-(heptadec-9-enyl)-1,3-...)
Show SMILES CCCCCCC\C=C\CCCCCCCCC1OCC(COP(O)([O-])=O)O1
Show InChI InChI=1S/C21H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-18-20(27-21)19-26-28(22,23)24/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,24)/p-1/b9-8+
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n/an/a 915n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA1 receptor in RH7777 rat hepatoma cell line


Bioorg Med Chem Lett 16: 451-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.096
BindingDB Entry DOI: 10.7270/Q2Z89C01
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Rattus norvegicus)
BDBM50177331
PNG
(CHEMBL381470 | potassium (2-dodecyl-1,3-dioxolan-4...)
Show SMILES CCCCCCCCCCCCC1OCC(COP(O)([O-])=O)O1
Show InChI InChI=1S/C16H33O6P/c1-2-3-4-5-6-7-8-9-10-11-12-16-20-13-15(22-16)14-21-23(17,18)19/h15-16H,2-14H2,1H3,(H2,17,18,19)/p-1
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Article
PubMed
n/an/a 1.11E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA1 receptor in RH7777 rat hepatoma cell line


Bioorg Med Chem Lett 16: 451-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.096
BindingDB Entry DOI: 10.7270/Q2Z89C01
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Rattus norvegicus)
BDBM50177329
PNG
(CHEMBL199380 | potassium (2-(6-(4-octylphenyl)hexy...)
Show SMILES CCCCCCCCc1ccc(CCCCCCC2OCC(COP(O)([O-])=O)O2)cc1
Show InChI InChI=1S/C24H41O6P/c1-2-3-4-5-6-9-12-21-15-17-22(18-16-21)13-10-7-8-11-14-24-28-19-23(30-24)20-29-31(25,26)27/h15-18,23-24H,2-14,19-20H2,1H3,(H2,25,26,27)/p-1
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n/an/a 4.66E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA1 receptor in RH7777 rat hepatoma cell line


Bioorg Med Chem Lett 16: 451-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.096
BindingDB Entry DOI: 10.7270/Q2Z89C01
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Rattus norvegicus)
BDBM50211652
PNG
(3-{2'-[1-(2-chloro-phenyl)-ethoxycarbonylamino]-bi...)
Show SMILES CC(OC(=O)Nc1ccccc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C25H24ClNO4S/c1-17(20-6-2-4-8-22(20)26)31-25(30)27-23-9-5-3-7-21(23)19-12-10-18(11-13-19)16-32-15-14-24(28)29/h2-13,17H,14-16H2,1H3,(H,27,30)(H,28,29)
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n/an/a>2.00E+4n/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)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair