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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 519.6
BDBM251721
Wt: 519.6
BDBM251722

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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))
BDBM251722
PNG
(US9464060, 58)
Show SMILES COc1ccccc1O[C@H]1CC[C@@H](CC1)C(=O)N(CCCc1cccc(F)c1)Cc1ccc(cc1)C(O)=O |r,wU:12.16,wD:9.9,(-8.67,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-8.67,-2.31,;-8.67,-.77,;-7.34,,;-6,-.77,;-6,-2.31,;-4.67,-3.08,;-3.33,-2.31,;-2,-3.08,;-.67,-2.31,;-.67,-.77,;-2,,;-3.33,-.77,;.67,,;.67,1.54,;2,-.77,;3.33,,;3.33,1.54,;4.67,2.31,;4.67,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;6,6.16,;7.34,6.93,;6,4.62,;2,-2.31,;3.33,-3.08,;3.33,-4.62,;4.67,-5.39,;6,-4.62,;6,-3.08,;4.67,-2.31,;7.34,-5.39,;7.34,-6.93,;8.67,-4.62,)|
Show InChI InChI=1S/C31H34FNO5/c1-37-28-9-2-3-10-29(28)38-27-17-15-24(16-18-27)30(34)33(19-5-7-22-6-4-8-26(32)20-22)21-23-11-13-25(14-12-23)31(35)36/h2-4,6,8-14,20,24,27H,5,7,15-19,21H2,1H3,(H,35,36)/t24-,27-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/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 5


(Homo sapiens (Human))
BDBM251722
PNG
(US9464060, 58)
Show SMILES COc1ccccc1O[C@H]1CC[C@@H](CC1)C(=O)N(CCCc1cccc(F)c1)Cc1ccc(cc1)C(O)=O |r,wU:12.16,wD:9.9,(-8.67,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-8.67,-2.31,;-8.67,-.77,;-7.34,,;-6,-.77,;-6,-2.31,;-4.67,-3.08,;-3.33,-2.31,;-2,-3.08,;-.67,-2.31,;-.67,-.77,;-2,,;-3.33,-.77,;.67,,;.67,1.54,;2,-.77,;3.33,,;3.33,1.54,;4.67,2.31,;4.67,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;6,6.16,;7.34,6.93,;6,4.62,;2,-2.31,;3.33,-3.08,;3.33,-4.62,;4.67,-5.39,;6,-4.62,;6,-3.08,;4.67,-2.31,;7.34,-5.39,;7.34,-6.93,;8.67,-4.62,)|
Show InChI InChI=1S/C31H34FNO5/c1-37-28-9-2-3-10-29(28)38-27-17-15-24(16-18-27)30(34)33(19-5-7-22-6-4-8-26(32)20-22)21-23-11-13-25(14-12-23)31(35)36/h2-4,6,8-14,20,24,27H,5,7,15-19,21H2,1H3,(H,35,36)/t24-,27-
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 32n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA5 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 5


(Homo sapiens (Human))
BDBM251721
PNG
(US9464060, 57)
Show SMILES COc1ccccc1OC1CC[C@@H](CC1)C(=O)N(CCCc1cccc(F)c1)Cc1ccc(cc1)C(O)=O |r,wU:12.16,(-8.67,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-8.67,-2.31,;-8.67,-.77,;-7.34,,;-6,-.77,;-6,-2.31,;-4.67,-3.08,;-3.33,-2.31,;-2,-3.08,;-.67,-2.31,;-.67,-.77,;-2,,;-3.33,-.77,;.67,,;.67,1.54,;2,-.77,;3.33,,;3.33,1.54,;4.67,2.31,;4.67,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;6,6.16,;7.34,6.93,;6,4.62,;2,-2.31,;3.33,-3.08,;3.33,-4.62,;4.67,-5.39,;6,-4.62,;6,-3.08,;4.67,-2.31,;7.34,-5.39,;7.34,-6.93,;8.67,-4.62,)|
Show InChI InChI=1S/C31H34FNO5/c1-37-28-9-2-3-10-29(28)38-27-17-15-24(16-18-27)30(34)33(19-5-7-22-6-4-8-26(32)20-22)21-23-11-13-25(14-12-23)31(35)36/h2-4,6,8-14,20,24,27H,5,7,15-19,21H2,1H3,(H,35,36)/t24-,27?
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 410n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Engagement of the LPA5 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