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PubMed code 17467986

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
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)		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 1


(Homo sapiens (Human))		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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Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...

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


(Homo sapiens (Human))		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 130n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...

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


(Homo sapiens (Human))		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 140n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...

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)		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 1


(Homo sapiens (Human))		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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Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...

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


(Homo sapiens (Human))		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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Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...

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


(Homo sapiens (Human))		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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Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...

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


(Homo sapiens (Human))		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 260n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...

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


(Homo sapiens (Human))		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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Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...

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


(Homo sapiens (Human))		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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Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...

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


(Homo sapiens (Human))		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 430n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...

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


(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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n/an/a 510n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...

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)		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
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))		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>4.00E+4n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...

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
* indicates data uncertainty>20%