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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 = 'BDBM251683'   
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))
BDBM251683
PNG
(US10100018, Example 19 | US9464060, 19)
Show SMILES O[C@H](CN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2F)cc1)Cc1ccccc1
Show InChI InChI=1S/C30H26FNO5/c31-27-8-4-5-9-28(27)37-26-16-14-23(15-17-26)29(34)32(19-22-10-12-24(13-11-22)30(35)36)20-25(33)18-21-6-2-1-3-7-21/h1-17,25,33H,18-20H2,(H,35,36)/t25-/m0/s1
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))
BDBM251683
PNG
(US10100018, Example 19 | US9464060, 19)
Show SMILES O[C@H](CN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2F)cc1)Cc1ccccc1
Show InChI InChI=1S/C30H26FNO5/c31-27-8-4-5-9-28(27)37-26-16-14-23(15-17-26)29(34)32(19-22-10-12-24(13-11-22)30(35)36)20-25(33)18-21-6-2-1-3-7-21/h1-17,25,33H,18-20H2,(H,35,36)/t25-/m0/s1
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))
BDBM251683
PNG
(US10100018, Example 19 | US9464060, 19)
Show SMILES O[C@H](CN(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc(Oc2ccccc2F)cc1)Cc1ccccc1
Show InChI InChI=1S/C30H26FNO5/c31-27-8-4-5-9-28(27)37-26-16-14-23(15-17-26)29(34)32(19-22-10-12-24(13-11-22)30(35)36)20-25(33)18-21-6-2-1-3-7-21/h1-17,25,33H,18-20H2,(H,35,36)/t25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9n/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