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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 = 'BDBM251733'   
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))
BDBM251733
PNG
(US10100018, Example 69 | US9464060, 69)
Show SMILES COc1ccccc1Oc1ccc(nc1)C(=O)N(CC1CC1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H24N2O5/c1-31-22-4-2-3-5-23(22)32-20-12-13-21(26-14-20)24(28)27(15-17-6-7-17)16-18-8-10-19(11-9-18)25(29)30/h2-5,8-14,17H,6-7,15-16H2,1H3,(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/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))
BDBM251733
PNG
(US10100018, Example 69 | US9464060, 69)
Show SMILES COc1ccccc1Oc1ccc(nc1)C(=O)N(CC1CC1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H24N2O5/c1-31-22-4-2-3-5-23(22)32-20-12-13-21(26-14-20)24(28)27(15-17-6-7-17)16-18-8-10-19(11-9-18)25(29)30/h2-5,8-14,17H,6-7,15-16H2,1H3,(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/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))
BDBM251733
PNG
(US10100018, Example 69 | US9464060, 69)
Show SMILES COc1ccccc1Oc1ccc(nc1)C(=O)N(CC1CC1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H24N2O5/c1-31-22-4-2-3-5-23(22)32-20-12-13-21(26-14-20)24(28)27(15-17-6-7-17)16-18-8-10-19(11-9-18)25(29)30/h2-5,8-14,17H,6-7,15-16H2,1H3,(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/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