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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 429.5
BDBM251687

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))
BDBM251687
PNG
(US10100018, Example 23 | US9464060, 23)
Show SMILES Cc1ccccc1Oc1ccc(cc1)C(=O)N(CC1CCC1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H27NO4/c1-19-5-2-3-8-25(19)32-24-15-13-22(14-16-24)26(29)28(17-20-6-4-7-20)18-21-9-11-23(12-10-21)27(30)31/h2-3,5,8-16,20H,4,6-7,17-18H2,1H3,(H,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 44n/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))
BDBM251687
PNG
(US10100018, Example 23 | US9464060, 23)
Show SMILES Cc1ccccc1Oc1ccc(cc1)C(=O)N(CC1CCC1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H27NO4/c1-19-5-2-3-8-25(19)32-24-15-13-22(14-16-24)26(29)28(17-20-6-4-7-20)18-21-9-11-23(12-10-21)27(30)31/h2-3,5,8-16,20H,4,6-7,17-18H2,1H3,(H,30,31)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 44n/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