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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 = 'BDBM251678'   
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))
BDBM251678
PNG
(US10100018, Example 14 | US9464060, 14)
Show SMILES COc1ccc(CN(Cc2ccc(cc2)C(O)=O)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
Show InChI InChI=1S/C29H24FNO5/c1-35-24-14-8-21(9-15-24)19-31(18-20-6-10-23(11-7-20)29(33)34)28(32)22-12-16-25(17-13-22)36-27-5-3-2-4-26(27)30/h2-17H,18-19H2,1H3,(H,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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))
BDBM251678
PNG
(US10100018, Example 14 | US9464060, 14)
Show SMILES COc1ccc(CN(Cc2ccc(cc2)C(O)=O)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
Show InChI InChI=1S/C29H24FNO5/c1-35-24-14-8-21(9-15-24)19-31(18-20-6-10-23(11-7-20)29(33)34)28(32)22-12-16-25(17-13-22)36-27-5-3-2-4-26(27)30/h2-17H,18-19H2,1H3,(H,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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))
BDBM251678
PNG
(US10100018, Example 14 | US9464060, 14)
Show SMILES COc1ccc(CN(Cc2ccc(cc2)C(O)=O)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
Show InChI InChI=1S/C29H24FNO5/c1-35-24-14-8-21(9-15-24)19-31(18-20-6-10-23(11-7-20)29(33)34)28(32)22-12-16-25(17-13-22)36-27-5-3-2-4-26(27)30/h2-17H,18-19H2,1H3,(H,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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