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3 similar compounds to monomer 50170862

Compile data set for download or QSAR
Wt: 424.4
BDBM50176391
Wt: 424.4
BDBM50176393
Wt: 396.4
BDBM50271805

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50176391,50176393,50271805   
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))
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))
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 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
PDB

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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))
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
UniProtKB/SwissProt

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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
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


(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
PDB

UniProtKB/SwissProt

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Article
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n/an/a 692n/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))
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(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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KEGG

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B.MOAD
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n/an/a 1.64E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant ATX from transfected HEK293 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
PDB

UniProtKB/SwissProt

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Article
PubMed
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