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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 485.5
BDBM251677

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 5


(Homo sapiens (Human))
BDBM251677
PNG
(US10100018, Example 13 | US9464060, 13)
Show SMILES COc1cccc(CN(Cc2ccc(cc2)C(O)=O)C(=O)c2ccc(Oc3ccccc3F)cc2)c1
Show InChI InChI=1S/C29H24FNO5/c1-35-25-6-4-5-21(17-25)19-31(18-20-9-11-23(12-10-20)29(33)34)28(32)22-13-15-24(16-14-22)36-27-8-3-2-7-26(27)30/h2-17H,18-19H2,1H3,(H,33,34)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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))
BDBM251677
PNG
(US10100018, Example 13 | US9464060, 13)
Show SMILES COc1cccc(CN(Cc2ccc(cc2)C(O)=O)C(=O)c2ccc(Oc3ccccc3F)cc2)c1
Show InChI InChI=1S/C29H24FNO5/c1-35-25-6-4-5-21(17-25)19-31(18-20-9-11-23(12-10-20)29(33)34)28(32)22-13-15-24(16-14-22)36-27-8-3-2-7-26(27)30/h2-17H,18-19H2,1H3,(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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))
BDBM251677
PNG
(US10100018, Example 13 | US9464060, 13)
Show SMILES COc1cccc(CN(Cc2ccc(cc2)C(O)=O)C(=O)c2ccc(Oc3ccccc3F)cc2)c1
Show InChI InChI=1S/C29H24FNO5/c1-35-25-6-4-5-21(17-25)19-31(18-20-9-11-23(12-10-20)29(33)34)28(32)22-13-15-24(16-14-22)36-27-8-3-2-7-26(27)30/h2-17H,18-19H2,1H3,(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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))
BDBM251677
PNG
(US10100018, Example 13 | US9464060, 13)
Show SMILES COc1cccc(CN(Cc2ccc(cc2)C(O)=O)C(=O)c2ccc(Oc3ccccc3F)cc2)c1
Show InChI InChI=1S/C29H24FNO5/c1-35-25-6-4-5-21(17-25)19-31(18-20-9-11-23(12-10-20)29(33)34)28(32)22-13-15-24(16-14-22)36-27-8-3-2-7-26(27)30/h2-17H,18-19H2,1H3,(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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