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10 similar compounds to monomer 50176391

Compile data set for download or QSAR
Wt: 409.4
BDBM50166115
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Wt: 424.4
BDBM50176393
Wt: 396.4
BDBM50271805
Wt: 746.9
BDBM50292393
Wt: 368.4
BDBM50381014
Wt: 396.4
BDBM50381015
Wt: 424.5
BDBM50381016
Wt: 452.5
BDBM50381017
Wt: 450.5
BDBM50381018
Wt: 410.4
BDBM50430013
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50166115,50176393,50271805,50292393,50381014,50381015,50381016,50381017,50381018,50430013   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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))
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 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 3 (LPAR3)


(Homo sapiens (Human))
BDBM50271805
PNG
((2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate...)
Show SMILES CCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCC
Show InChI InChI=1S/C17H33O8P/c1-3-5-7-9-11-16(18)23-13-15(14-24-26(20,21)22)25-17(19)12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H2,20,21,22)/t15-/m1/s1
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n/an/a 143n/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Inhibition of LPA3 receptor (unknown origin)


Bioorg Med Chem 16: 6207-17 (2008)


Article DOI: 10.1016/j.bmc.2008.04.035
BindingDB Entry DOI: 10.7270/Q270817C
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50292393
PNG
(CHEMBL507352 | phosphatidyl glycerol)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC
Show InChI InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11+,18-17+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of immobilized sulfatide from P-selectin transfected in african green monkey COS cells by IgG-based competitive ELISA


J Nat Prod 60: 387-9 (1997)


Article DOI: 10.1021/np9606761
BindingDB Entry DOI: 10.7270/Q2N879TD
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 6


(Homo sapiens (Human))
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 930n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA6 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425


Bioorg Med Chem Lett 23: 1865-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.002
BindingDB Entry DOI: 10.7270/Q2SN0B9G
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 23: 1865-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.002
BindingDB Entry DOI: 10.7270/Q2SN0B9G
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 4


(Homo sapiens (Human))
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 84n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA4 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425


Bioorg Med Chem Lett 23: 1865-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.002
BindingDB Entry DOI: 10.7270/Q2SN0B9G
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
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 580n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA3 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay


Bioorg Med Chem Lett 23: 1865-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.002
BindingDB Entry DOI: 10.7270/Q2SN0B9G
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
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 290n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA2 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay


Bioorg Med Chem Lett 23: 1865-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.002
BindingDB Entry DOI: 10.7270/Q2SN0B9G
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
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 71n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA1 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay


Bioorg Med Chem Lett 23: 1865-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.002
BindingDB Entry DOI: 10.7270/Q2SN0B9G
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50381014
PNG
(CHEMBL2017131)
Show SMILES CCCCCCCCCCCC(=O)OCC(COP(O)(O)=O)OC
Show InChI InChI=1S/C16H33O7P/c1-3-4-5-6-7-8-9-10-11-12-16(17)22-13-15(21-2)14-23-24(18,19)20/h15H,3-14H2,1-2H3,(H2,18,19,20)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Technical University of Lodz

Curated by ChEMBL


Assay Description
Inhibition of human recombinant autotaxin expressed in insect Sf9 cells using FS-3 as substrate preincubated for 10 mins prior substrate addition mea...


Bioorg Med Chem Lett 22: 2698-700 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.008
BindingDB Entry DOI: 10.7270/Q27P90DG
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50381015
PNG
(CHEMBL2017132)
Show SMILES CCCCCCCCCCCCCC(=O)OCC(COP(O)(O)=O)OC
Show InChI InChI=1S/C18H37O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(19)24-15-17(23-2)16-25-26(20,21)22/h17H,3-16H2,1-2H3,(H2,20,21,22)
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n/an/a 705n/an/an/an/an/an/a



Technical University of Lodz

Curated by ChEMBL


Assay Description
Inhibition of human recombinant autotaxin expressed in insect Sf9 cells using FS-3 as substrate preincubated for 10 mins prior substrate addition mea...


Bioorg Med Chem Lett 22: 2698-700 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.008
BindingDB Entry DOI: 10.7270/Q27P90DG
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50381016
PNG
(CHEMBL2017133)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(O)=O)OC
Show InChI InChI=1S/C20H41O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(21)26-17-19(25-2)18-27-28(22,23)24/h19H,3-18H2,1-2H3,(H2,22,23,24)
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n/an/a 361n/an/an/an/an/an/a



Technical University of Lodz

Curated by ChEMBL


Assay Description
Inhibition of human recombinant autotaxin expressed in insect Sf9 cells using FS-3 as substrate preincubated for 10 mins prior substrate addition mea...


Bioorg Med Chem Lett 22: 2698-700 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.008
BindingDB Entry DOI: 10.7270/Q27P90DG
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50381017
PNG
(CHEMBL2017134)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(O)=O)OC
Show InChI InChI=1S/C22H45O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)28-19-21(27-2)20-29-30(24,25)26/h21H,3-20H2,1-2H3,(H2,24,25,26)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Technical University of Lodz

Curated by ChEMBL


Assay Description
Inhibition of human recombinant autotaxin expressed in insect Sf9 cells using FS-3 as substrate preincubated for 10 mins prior substrate addition mea...


Bioorg Med Chem Lett 22: 2698-700 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.008
BindingDB Entry DOI: 10.7270/Q27P90DG
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50166115
PNG
(CHEMBL190876 | PALMITOYL)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(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)/p-1
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonistic activity as increased intracellular calcium level by human LPA3 receptor expressed in Sf9 cells


J Med Chem 48: 3319-27 (2005)


Article DOI: 10.1021/jm049186t
BindingDB Entry DOI: 10.7270/Q2154GJ4
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50381018
PNG
(CHEMBL2017135)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COP(O)(O)=O)OC
Show InChI InChI=1S/C22H43O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)28-19-21(27-2)20-29-30(24,25)26/h10-11,21H,3-9,12-20H2,1-2H3,(H2,24,25,26)/b11-10-
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n/an/a 220n/an/an/an/an/an/a



Technical University of Lodz

Curated by ChEMBL


Assay Description
Inhibition of human recombinant autotaxin expressed in insect Sf9 cells using FS-3 as substrate preincubated for 10 mins prior substrate addition mea...


Bioorg Med Chem Lett 22: 2698-700 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.008
BindingDB Entry DOI: 10.7270/Q27P90DG
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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n/an/a 433n/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