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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'Lysophosphatidic acid receptor 5'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysophosphatidic acid receptor 5


(Homo sapiens)
BDBM50304580
PNG
(2-(3-(4-nitrophenoxy)phenyl)-1,3-dioxoisoindoline-...)
Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C21H12N2O7/c24-19-17-9-4-12(21(26)27)10-18(17)20(25)22(19)14-2-1-3-16(11-14)30-15-7-5-13(6-8-15)23(28)29/h1-11H,(H,26,27)
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n/an/a 463n/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Antagonist activity at LPA5 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens)
BDBM50388091
PNG
(CHEMBL2058156)
Show SMILES COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H23ClN2O3/c1-29-18-9-5-8-17(13-18)26-22(14-21(25-26)23(27)28)16-10-11-19(20(24)12-16)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,27,28)
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n/an/a 800n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Antagonist activity at LPA5 receptor in human washed platelets assessed as inhibition of hexadecyl-LPA-induced platelet aggregation after 3 mins


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens)
BDBM50388091
PNG
(CHEMBL2058156)
Show SMILES COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H23ClN2O3/c1-29-18-9-5-8-17(13-18)26-22(14-21(25-26)23(27)28)16-10-11-19(20(24)12-16)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,27,28)
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n/an/a 800n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA5 receptor expressed in rat RH7777 cells assessed as inhibition of hexadecyl-LPA-induced effect


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens)
BDBM50388091
PNG
(CHEMBL2058156)
Show SMILES COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H23ClN2O3/c1-29-18-9-5-8-17(13-18)26-22(14-21(25-26)23(27)28)16-10-11-19(20(24)12-16)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,27,28)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Antagonist activity at LPA5 receptor in human isolated platelets assessed as inhibition of hexadecyl-LPA-induced platelet aggregation after 3 mins


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(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>3.00E+4n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Antagonist activity at LPA5 receptor in human isolated platelets assessed as inhibition of hexadecyl-LPA-induced platelet aggregation after 3 mins


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens)
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>3.00E+4n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Antagonist activity at LPA5 receptor in human isolated platelets assessed as inhibition of hexadecyl-LPA-induced platelet aggregation after 3 mins


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens)
BDBM50304580
PNG
(2-(3-(4-nitrophenoxy)phenyl)-1,3-dioxoisoindoline-...)
Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C21H12N2O7/c24-19-17-9-4-12(21(26)27)10-18(17)20(25)22(19)14-2-1-3-16(11-14)30-15-7-5-13(6-8-15)23(28)29/h1-11H,(H,26,27)
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292n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Binding affinity to LPA5


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens)
BDBM50430010
PNG
(CHEMBL2335047)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@@H](COP(O)(O)=S)OC
Show InChI InChI=1S/C22H47O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20-22(25-2)21-27-28(23,24)29/h22H,3-21H2,1-2H3,(H2,23,24,29)/t22-/m0/s1
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n/an/an/an/a 3.40n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA5 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens)
BDBM50430011
PNG
(CHEMBL153043)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=S)OC
Show InChI InChI=1S/C22H45O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)27-19-21(26-2)20-28-29(24,25)30/h21H,3-20H2,1-2H3,(H2,24,25,30)/t21-/m1/s1
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n/an/an/an/a 8.20n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA5 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens)
BDBM50430012
PNG
(CHEMBL357053)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(O)(O)=S)OC
Show InChI InChI=1S/C22H45O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)27-19-21(26-2)20-28-29(24,25)30/h21H,3-20H2,1-2H3,(H2,24,25,30)/t21-/m0/s1
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n/an/an/an/a 5.10n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA5 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens)
BDBM50430013
PNG
(CHEMBL364797)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O
Show InChI InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)/t18-/m1/s1
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n/an/an/an/a 68n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA5 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens)
BDBM50148348
PNG
((R)-Octadec-9-enoic acid 2-hydroxy-3-phosphonooxy-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O
Show InChI InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1
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n/an/an/an/a 55n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA5 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens)
BDBM50430006
PNG
(CHEMBL2335048)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(O)=S)OC
Show InChI InChI=1S/C22H47O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20-22(25-2)21-27-28(23,24)29/h22H,3-21H2,1-2H3,(H2,23,24,29)/t22-/m1/s1
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n/an/an/an/a 6.10n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA5 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens)
BDBM50430009
PNG
(CHEMBL2335049)
Show SMILES CCCCCCCCCCCCCCCCOC(COC)COP(O)([O-])=S
Show InChI InChI=1S/C20H43O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-20(18-23-2)19-25-26(21,22)27/h20H,3-19H2,1-2H3,(H2,21,22,27)/p-1
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n/an/an/an/a 0.260n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA5 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens)
BDBM50430008
PNG
(CHEMBL2335050)
Show SMILES CCCCCCCCCCCCCCCCCOC(COC)COP(O)([O-])=S
Show InChI InChI=1S/C21H45O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21(19-24-2)20-26-27(22,23)28/h21H,3-20H2,1-2H3,(H2,22,23,28)/p-1
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n/an/an/an/a 3n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA5 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens)
BDBM50430007
PNG
(CHEMBL2335051)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC(COC)COP(O)([O-])=S
Show InChI InChI=1S/C22H45O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)28-21(19-26-2)20-27-29(24,25)30/h21H,3-20H2,1-2H3,(H2,24,25,30)/p-1
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n/an/an/an/a 1.80n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA5 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens)
BDBM50148348
PNG
((R)-Octadec-9-enoic acid 2-hydroxy-3-phosphonooxy-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O
Show InChI InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1
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n/an/an/an/a 510n/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Agonist activity at FLAG-tagged human LPA5 expressed in rat B103 cells by Fura-2AM dye based Ca2+ mobilization assay


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens)
BDBM50430006
PNG
(CHEMBL2335048)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(O)=S)OC
Show InChI InChI=1S/C22H47O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20-22(25-2)21-27-28(23,24)29/h22H,3-21H2,1-2H3,(H2,23,24,29)/t22-/m1/s1
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n/an/an/an/a 0.830n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA5 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens)
BDBM50148348
PNG
((R)-Octadec-9-enoic acid 2-hydroxy-3-phosphonooxy-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O
Show InChI InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1
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n/an/an/an/a 12n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Agonist activity at LPA5 expressed in human chem1 cells assessed as intracellular calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens)
BDBM50381022
PNG
(CHEMBL2017139)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(S)=O)OC
Show InChI InChI=1S/C22H45O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)27-19-21(26-2)20-28-29(24,25)30/h21H,3-20H2,1-2H3,(H2,24,25,30)
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n/an/an/an/a 6.30n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA5 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425


Citation and Details
More data for this
Ligand-Target Pair