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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 = 'BDBM251729'   
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))
BDBM251729
PNG
(US10100018, Example 65 | US9464060, 65)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)OC)C(=O)c1ccc(Oc2ccccc2OC)cc1
Show InChI InChI=1S/C27H29NO5/c1-4-5-18-28(19-20-10-12-22(13-11-20)27(30)32-3)26(29)21-14-16-23(17-15-21)33-25-9-7-6-8-24(25)31-2/h6-17H,4-5,18-19H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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))
BDBM251729
PNG
(US10100018, Example 65 | US9464060, 65)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)OC)C(=O)c1ccc(Oc2ccccc2OC)cc1
Show InChI InChI=1S/C27H29NO5/c1-4-5-18-28(19-20-10-12-22(13-11-20)27(30)32-3)26(29)21-14-16-23(17-15-21)33-25-9-7-6-8-24(25)31-2/h6-17H,4-5,18-19H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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))
BDBM251729
PNG
(US10100018, Example 65 | US9464060, 65)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)OC)C(=O)c1ccc(Oc2ccccc2OC)cc1
Show InChI InChI=1S/C27H29NO5/c1-4-5-18-28(19-20-10-12-22(13-11-20)27(30)32-3)26(29)21-14-16-23(17-15-21)33-25-9-7-6-8-24(25)31-2/h6-17H,4-5,18-19H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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