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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 = 'BDBM251681'   
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))
BDBM251681
PNG
(US10100018, Example 17 | US9464060, 17)
Show SMILES OC(=O)c1ccc(CN(CCCc2cccc(F)c2)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
Show InChI InChI=1S/C30H25F2NO4/c31-25-7-3-5-21(19-25)6-4-18-33(20-22-10-12-24(13-11-22)30(35)36)29(34)23-14-16-26(17-15-23)37-28-9-2-1-8-27(28)32/h1-3,5,7-17,19H,4,6,18,20H2,(H,35,36)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/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))
BDBM251681
PNG
(US10100018, Example 17 | US9464060, 17)
Show SMILES OC(=O)c1ccc(CN(CCCc2cccc(F)c2)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
Show InChI InChI=1S/C30H25F2NO4/c31-25-7-3-5-21(19-25)6-4-18-33(20-22-10-12-24(13-11-22)30(35)36)29(34)23-14-16-26(17-15-23)37-28-9-2-1-8-27(28)32/h1-3,5,7-17,19H,4,6,18,20H2,(H,35,36)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/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))
BDBM251681
PNG
(US10100018, Example 17 | US9464060, 17)
Show SMILES OC(=O)c1ccc(CN(CCCc2cccc(F)c2)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
Show InChI InChI=1S/C30H25F2NO4/c31-25-7-3-5-21(19-25)6-4-18-33(20-22-10-12-24(13-11-22)30(35)36)29(34)23-14-16-26(17-15-23)37-28-9-2-1-8-27(28)32/h1-3,5,7-17,19H,4,6,18,20H2,(H,35,36)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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