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Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'makarova' and Initial = 'n'   
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 3 (LPAR3)


(Homo sapiens (Human))
BDBM50176394
PNG
(CHEMBL202361 | octanoic acid (R)-2-octanoyloxy-3-t...)
Show SMILES CCCCCCCC(=O)OC[C@H](COP(O)(O)=S)OC(=O)CCCCCCC
Show InChI InChI=1S/C19H37O7PS/c1-3-5-7-9-11-13-18(20)24-15-17(16-25-27(22,23)28)26-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,28)/t17-/m1/s1
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5n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50176391
PNG
(CHEMBL202185 | octanoic acid (R)-2-octanoyloxy-3-p...)
Show SMILES CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC
Show InChI InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m1/s1
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39n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50176397
PNG
(CHEMBL203986 | nonanoic acid (S)-2-nonanoyloxy-3-p...)
Show SMILES CCCCCCCCOC[C@@H](COP(O)(O)=O)OCCCCCCCC
Show InChI InChI=1S/C19H41O6P/c1-3-5-7-9-11-13-15-23-17-19(18-25-26(20,21)22)24-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,22)/t19-/m0/s1
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50n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/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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83n/an/an/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 (LPAR3)


(Homo sapiens (Human))
BDBM50176392
PNG
(CHEMBL379248 | thiophosphoric acid (R)-2-octanoyla...)
Show SMILES CCCCCCCCNC(=O)[C@@H](COP(O)(O)=S)NC(=O)CCCCCCC
Show InChI InChI=1S/C19H39N2O5PS/c1-3-5-7-9-11-13-15-20-19(23)17(16-26-27(24,25)28)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,28)/t17-/m1/s1
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118n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50176393
PNG
(CHEMBL383095 | octanoic acid (S)-2-octanoyloxy-3-p...)
Show SMILES CCCCCCCC(=O)OC[C@@H](COP(O)(O)=O)OC(=O)CCCCCCC
Show InChI InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m0/s1
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119n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50176398
PNG
((S)-O-2,3-bis(octyloxy)propyl O,O-dihydrogen phosp...)
Show SMILES CCCCCCCCOC[C@@H](COP(O)(O)=S)OCCCCCCCC
Show InChI InChI=1S/C19H41O5PS/c1-3-5-7-9-11-13-15-22-17-19(18-24-25(20,21)26)23-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,26)/t19-/m0/s1
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139n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA1 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/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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171n/an/an/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 (LPAR3)


(Homo sapiens (Human))
BDBM50176396
PNG
(CHEMBL204037 | Serine amide phospate derivative | ...)
Show SMILES CCCCCCCCNC(=O)[C@H](COP(O)(O)=O)NC(=O)CCCCCCC
Show InChI InChI=1S/C19H39N2O6P/c1-3-5-7-9-11-13-15-20-19(23)17(16-27-28(24,25)26)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,26)/t17-/m0/s1
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196n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50176393
PNG
(CHEMBL383095 | octanoic acid (S)-2-octanoyloxy-3-p...)
Show SMILES CCCCCCCC(=O)OC[C@@H](COP(O)(O)=O)OC(=O)CCCCCCC
Show InChI InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m0/s1
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221n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA1 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/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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241n/an/an/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


(Homo sapiens (Human))
BDBM50176394
PNG
(CHEMBL202361 | octanoic acid (R)-2-octanoyloxy-3-t...)
Show SMILES CCCCCCCC(=O)OC[C@H](COP(O)(O)=S)OC(=O)CCCCCCC
Show InChI InChI=1S/C19H37O7PS/c1-3-5-7-9-11-13-18(20)24-15-17(16-25-27(22,23)28)26-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,28)/t17-/m1/s1
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360n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA1 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50176391
PNG
(CHEMBL202185 | octanoic acid (R)-2-octanoyloxy-3-p...)
Show SMILES CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC
Show InChI InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m1/s1
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407n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA1 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50176395
PNG
(CHEMBL202251 | phosphoric acid mono-((R)-2-octanoy...)
Show SMILES CCCCCCCCNC(=O)[C@@H](COP(O)(O)=O)NC(=O)CCCCCCC
Show InChI InChI=1S/C19H39N2O6P/c1-3-5-7-9-11-13-15-20-19(23)17(16-27-28(24,25)26)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,26)/t17-/m1/s1
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489n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50176395
PNG
(CHEMBL202251 | phosphoric acid mono-((R)-2-octanoy...)
Show SMILES CCCCCCCCNC(=O)[C@@H](COP(O)(O)=O)NC(=O)CCCCCCC
Show InChI InChI=1S/C19H39N2O6P/c1-3-5-7-9-11-13-15-20-19(23)17(16-27-28(24,25)26)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,26)/t17-/m1/s1
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489n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3


(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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497n/an/an/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/lysophosphatidic acid receptor 3


(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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652n/an/an/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 Edg-4


(Homo sapiens (Human))
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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745n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA2 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 Edg-4


(Homo sapiens (Human))
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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745n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA2 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/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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1.93E+3n/an/an/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


(Homo sapiens (Human))
BDBM50176392
PNG
(CHEMBL379248 | thiophosphoric acid (R)-2-octanoyla...)
Show SMILES CCCCCCCCNC(=O)[C@@H](COP(O)(O)=S)NC(=O)CCCCCCC
Show InChI InChI=1S/C19H39N2O5PS/c1-3-5-7-9-11-13-15-20-19(23)17(16-26-27(24,25)28)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,28)/t17-/m1/s1
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2.85E+3n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA1 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50176392
PNG
(CHEMBL379248 | thiophosphoric acid (R)-2-octanoyla...)
Show SMILES CCCCCCCCNC(=O)[C@@H](COP(O)(O)=S)NC(=O)CCCCCCC
Show InChI InChI=1S/C19H39N2O5PS/c1-3-5-7-9-11-13-15-20-19(23)17(16-26-27(24,25)28)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,28)/t17-/m1/s1
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2.85E+3n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA1 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50176394
PNG
(CHEMBL202361 | octanoic acid (R)-2-octanoyloxy-3-t...)
Show SMILES CCCCCCCC(=O)OC[C@H](COP(O)(O)=S)OC(=O)CCCCCCC
Show InChI InChI=1S/C19H37O7PS/c1-3-5-7-9-11-13-18(20)24-15-17(16-25-27(22,23)28)26-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,28)/t17-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50176391
PNG
(CHEMBL202185 | octanoic acid (R)-2-octanoyloxy-3-p...)
Show SMILES CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC
Show InChI InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m1/s1
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n/an/a 85n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
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 97n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of lysophospholipase D autotaxin


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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
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 106n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of lysophospholipase D autotaxin


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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50177341
PNG
(CHEMBL371955 | potassium ((2S,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 120n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of lysophospholipase D autotaxin


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/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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
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 141n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of lysophospholipase D autotaxin


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 (LPAR3)


(Homo sapiens (Human))
BDBM50176397
PNG
(CHEMBL203986 | nonanoic acid (S)-2-nonanoyloxy-3-p...)
Show SMILES CCCCCCCCOC[C@@H](COP(O)(O)=O)OCCCCCCCC
Show InChI InChI=1S/C19H41O6P/c1-3-5-7-9-11-13-15-23-17-19(18-25-26(20,21)22)24-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,22)/t19-/m0/s1
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n/an/a 143n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
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 178n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of lysophospholipase D autotaxin


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 (LPAR3)


(Homo sapiens (Human))
BDBM50176398
PNG
((S)-O-2,3-bis(octyloxy)propyl O,O-dihydrogen phosp...)
Show SMILES CCCCCCCCOC[C@@H](COP(O)(O)=S)OCCCCCCCC
Show InChI InChI=1S/C19H41O5PS/c1-3-5-7-9-11-13-15-22-17-19(18-24-25(20,21)26)23-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,26)/t19-/m0/s1
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n/an/a 184n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50176398
PNG
((S)-O-2,3-bis(octyloxy)propyl O,O-dihydrogen phosp...)
Show SMILES CCCCCCCCOC[C@@H](COP(O)(O)=S)OCCCCCCCC
Show InChI InChI=1S/C19H41O5PS/c1-3-5-7-9-11-13-15-22-17-19(18-24-25(20,21)26)23-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,26)/t19-/m0/s1
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n/an/a 184n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50176393
PNG
(CHEMBL383095 | octanoic acid (S)-2-octanoyloxy-3-p...)
Show SMILES CCCCCCCC(=O)OC[C@@H](COP(O)(O)=O)OC(=O)CCCCCCC
Show InChI InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m0/s1
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n/an/a 207n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/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 1/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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
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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n/an/a 232n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of lysophospholipase D autotaxin


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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
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 238n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of lysophospholipase D autotaxin


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 (LPAR3)


(Homo sapiens (Human))
BDBM50176389
PNG
(CHEMBL440396 | thiophosphoric acid (S)-2-octanoyla...)
Show SMILES CCCCCCCCNC(=O)[C@H](COP(O)(O)=S)NC(=O)CCCCCCC
Show InChI InChI=1S/C19H39N2O5PS/c1-3-5-7-9-11-13-15-20-19(23)17(16-26-27(24,25)28)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,28)/t17-/m0/s1
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n/an/a 251n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50176389
PNG
(CHEMBL440396 | thiophosphoric acid (S)-2-octanoyla...)
Show SMILES CCCCCCCCNC(=O)[C@H](COP(O)(O)=S)NC(=O)CCCCCCC
Show InChI InChI=1S/C19H39N2O5PS/c1-3-5-7-9-11-13-15-20-19(23)17(16-26-27(24,25)28)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,28)/t17-/m0/s1
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n/an/a 251n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50177328
PNG
(CHEMBL427014 | potassium O-((2S,4R)-2-(heptadec-9-...)
Show SMILES CCCCCCC\C=C\CCCCCCCC[C@H]1OC[C@H](COP(O)([O-])=S)O1
Show InChI InChI=1S/C21H41O5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-18-20(26-21)19-25-27(22,23)28/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,28)/p-1/b9-8+/t20-,21+/m1/s1
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of lysophospholipase D autotaxin


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 (LPAR3)


(Homo sapiens (Human))
BDBM50176392
PNG
(CHEMBL379248 | thiophosphoric acid (R)-2-octanoyla...)
Show SMILES CCCCCCCCNC(=O)[C@@H](COP(O)(O)=S)NC(=O)CCCCCCC
Show InChI InChI=1S/C19H39N2O5PS/c1-3-5-7-9-11-13-15-20-19(23)17(16-26-27(24,25)28)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,28)/t17-/m1/s1
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50176398
PNG
((S)-O-2,3-bis(octyloxy)propyl O,O-dihydrogen phosp...)
Show SMILES CCCCCCCCOC[C@@H](COP(O)(O)=S)OCCCCCCCC
Show InChI InChI=1S/C19H41O5PS/c1-3-5-7-9-11-13-15-22-17-19(18-24-25(20,21)26)23-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,26)/t19-/m0/s1
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA1 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50177335
PNG
(CHEMBL199400 | potassium O-((2R,4R)-2-(heptadec-9-...)
Show SMILES CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@H](COP(O)([O-])=S)O1
Show InChI InChI=1S/C21H41O5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-18-20(26-21)19-25-27(22,23)28/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,28)/p-1/b9-8+/t20-,21-/m1/s1
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of lysophospholipase D autotaxin


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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50177333
PNG
(CHEMBL200003 | potassium O-((2R,4S)-2-(heptadec-9-...)
Show SMILES CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@@H](COP(O)([O-])=S)O1
Show InChI InChI=1S/C21H41O5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-18-20(26-21)19-25-27(22,23)28/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,28)/p-1/b9-8+/t20-,21+/m0/s1
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of lysophospholipase D autotaxin


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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50177330
PNG
(CHEMBL425218 | potassium O-((2S,4S)-2-(heptadec-9-...)
Show SMILES CCCCCCC\C=C\CCCCCCCC[C@H]1OC[C@@H](COP(O)([O-])=S)O1
Show InChI InChI=1S/C21H41O5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-18-20(26-21)19-25-27(22,23)28/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,28)/p-1/b9-8+/t20-,21-/m0/s1
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of lysophospholipase D autotaxin


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 (LPAR3)


(Homo sapiens (Human))
BDBM50176396
PNG
(CHEMBL204037 | Serine amide phospate derivative | ...)
Show SMILES CCCCCCCCNC(=O)[C@H](COP(O)(O)=O)NC(=O)CCCCCCC
Show InChI InChI=1S/C19H39N2O6P/c1-3-5-7-9-11-13-15-20-19(23)17(16-27-28(24,25)26)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,26)/t17-/m0/s1
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50177332
PNG
(CHEMBL199472 | potassium O-(2-(heptadec-9-enyl)-1,...)
Show SMILES CCCCCCC\C=C\CCCCCCCCC1OCC(COP(O)([O-])=S)O1
Show InChI InChI=1S/C21H41O5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-18-20(26-21)19-25-27(22,23)28/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,28)/p-1/b9-8+
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of lysophospholipase D autotaxin


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


(Homo sapiens (Human))
BDBM50176393
PNG
(CHEMBL383095 | octanoic acid (S)-2-octanoyloxy-3-p...)
Show SMILES CCCCCCCC(=O)OC[C@@H](COP(O)(O)=O)OC(=O)CCCCCCC
Show InChI InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m0/s1
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA1 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50177334
PNG
(CHEMBL198406 | potassium O-(2-(6-(4-octylphenyl)he...)
Show SMILES CCCCCCCCc1ccc(CCCCCCC2OCC(COP(O)([O-])=S)O2)cc1
Show InChI InChI=1S/C24H41O5PS/c1-2-3-4-5-6-9-12-21-15-17-22(18-16-21)13-10-7-8-11-14-24-27-19-23(29-24)20-28-30(25,26)31/h15-18,23-24H,2-14,19-20H2,1H3,(H2,25,26,31)/p-1
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of lysophospholipase D autotaxin


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
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