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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Lysophosphatidic acid receptor 1' and Ligand = 'BDBM251727'   
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))
BDBM251727
PNG
(US10100018, Example 63 | US9464060, 63)
Show SMILES COc1ccccc1Oc1ccc(cc1)C(=O)N(Cc1ccc(cc1)C(O)=O)CC(C)(F)F
Show InChI InChI=1S/C25H23F2NO5/c1-25(26,27)16-28(15-17-7-9-19(10-8-17)24(30)31)23(29)18-11-13-20(14-12-18)33-22-6-4-3-5-21(22)32-2/h3-14H,15-16H2,1-2H3,(H,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/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
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251727
PNG
(US10100018, Example 63 | US9464060, 63)
Show SMILES COc1ccccc1Oc1ccc(cc1)C(=O)N(Cc1ccc(cc1)C(O)=O)CC(C)(F)F
Show InChI InChI=1S/C25H23F2NO5/c1-25(26,27)16-28(15-17-7-9-19(10-8-17)24(30)31)23(29)18-11-13-20(14-12-18)33-22-6-4-3-5-21(22)32-2/h3-14H,15-16H2,1-2H3,(H,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251727
PNG
(US10100018, Example 63 | US9464060, 63)
Show SMILES COc1ccccc1Oc1ccc(cc1)C(=O)N(Cc1ccc(cc1)C(O)=O)CC(C)(F)F
Show InChI InChI=1S/C25H23F2NO5/c1-25(26,27)16-28(15-17-7-9-19(10-8-17)24(30)31)23(29)18-11-13-20(14-12-18)33-22-6-4-3-5-21(22)32-2/h3-14H,15-16H2,1-2H3,(H,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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)

More data for this
Ligand-Target Pair