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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 437.4
BDBM251744

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
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


(Homo sapiens (Human))
BDBM251744
PNG
(US10100018, Example 80 | US9464060, 80)
Show SMILES CCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccc(F)cc2OC)cc1
Show InChI InChI=1S/C25H24FNO5/c1-3-14-27(16-17-4-6-19(7-5-17)25(29)30)24(28)18-8-11-21(12-9-18)32-22-13-10-20(26)15-23(22)31-2/h4-13,15H,3,14,16H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 45n/an/an/an/an/a25



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)


BindingDB Entry DOI: 10.7270/Q2PR7Z0N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens (Human))
BDBM251744
PNG
(US10100018, Example 80 | US9464060, 80)
Show SMILES CCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccc(F)cc2OC)cc1
Show InChI InChI=1S/C25H24FNO5/c1-3-14-27(16-17-4-6-19(7-5-17)25(29)30)24(28)18-8-11-21(12-9-18)32-22-13-10-20(26)15-23(22)31-2/h4-13,15H,3,14,16H2,1-2H3,(H,29,30)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 45n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA5 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251744
PNG
(US10100018, Example 80 | US9464060, 80)
Show SMILES CCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccc(F)cc2OC)cc1
Show InChI InChI=1S/C25H24FNO5/c1-3-14-27(16-17-4-6-19(7-5-17)25(29)30)24(28)18-8-11-21(12-9-18)32-22-13-10-20(26)15-23(22)31-2/h4-13,15H,3,14,16H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/an/a25



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...


US Patent US10100018 (2018)


BindingDB Entry DOI: 10.7270/Q2PR7Z0N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251744
PNG
(US10100018, Example 80 | US9464060, 80)
Show SMILES CCCN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccc(F)cc2OC)cc1
Show InChI InChI=1S/C25H24FNO5/c1-3-14-27(16-17-4-6-19(7-5-17)25(29)30)24(28)18-8-11-21(12-9-18)32-22-13-10-20(26)15-23(22)31-2/h4-13,15H,3,14,16H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...


US Patent US9464060 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RT0
More data for this
Ligand-Target Pair