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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 462.4
BDBM251691

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

Found 2 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))
BDBM251691
PNG
(US10100018, Example 27 | US9464060, 27)
Show SMILES OC(=O)c1ccc(CN(Cc2ccccc2)C(=O)c2ccc(Oc3ccccc3C#N)cc2)cc1
Show InChI InChI=1S/C29H22N2O4/c30-18-25-8-4-5-9-27(25)35-26-16-14-23(15-17-26)28(32)31(19-21-6-2-1-3-7-21)20-22-10-12-24(13-11-22)29(33)34/h1-17H,19-20H2,(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/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))
BDBM251691
PNG
(US10100018, Example 27 | US9464060, 27)
Show SMILES OC(=O)c1ccc(CN(Cc2ccccc2)C(=O)c2ccc(Oc3ccccc3C#N)cc2)cc1
Show InChI InChI=1S/C29H22N2O4/c30-18-25-8-4-5-9-27(25)35-26-16-14-23(15-17-26)28(32)31(19-21-6-2-1-3-7-21)20-22-10-12-24(13-11-22)29(33)34/h1-17H,19-20H2,(H,33,34)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/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