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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 461.5
BDBM251719

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

Found 2 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))
BDBM251719
PNG
(US10100018, Example 55 | US9464060, 55)
Show SMILES OC(=O)c1ccc(CN(Cc2ccccc2)C(=O)C2CCC(CC2)Oc2ccccc2F)cc1 |(7.34,-5.77,;7.34,-4.24,;8.67,-3.47,;6,-3.47,;4.67,-4.24,;3.33,-3.47,;3.33,-1.93,;2,-1.16,;2,.38,;3.33,1.15,;3.33,2.69,;4.67,3.46,;4.67,5,;3.33,5.77,;2,5,;2,3.46,;.67,1.15,;.67,2.69,;-.67,.38,;-2,1.15,;-3.33,.38,;-3.33,-1.16,;-2,-1.93,;-.67,-1.16,;-4.67,-1.93,;-6,-1.16,;-6,.38,;-7.34,1.15,;-8.67,.38,;-8.67,-1.16,;-7.34,-1.93,;-7.34,-3.46,;4.67,-1.16,;6,-1.93,)|
Show InChI InChI=1S/C28H28FNO4/c29-25-8-4-5-9-26(25)34-24-16-14-22(15-17-24)27(31)30(18-20-6-2-1-3-7-20)19-21-10-12-23(13-11-21)28(32)33/h1-13,22,24H,14-19H2,(H,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 690n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z0N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5


(Homo sapiens (Human))
BDBM251719
PNG
(US10100018, Example 55 | US9464060, 55)
Show SMILES OC(=O)c1ccc(CN(Cc2ccccc2)C(=O)C2CCC(CC2)Oc2ccccc2F)cc1 |(7.34,-5.77,;7.34,-4.24,;8.67,-3.47,;6,-3.47,;4.67,-4.24,;3.33,-3.47,;3.33,-1.93,;2,-1.16,;2,.38,;3.33,1.15,;3.33,2.69,;4.67,3.46,;4.67,5,;3.33,5.77,;2,5,;2,3.46,;.67,1.15,;.67,2.69,;-.67,.38,;-2,1.15,;-3.33,.38,;-3.33,-1.16,;-2,-1.93,;-.67,-1.16,;-4.67,-1.93,;-6,-1.16,;-6,.38,;-7.34,1.15,;-8.67,.38,;-8.67,-1.16,;-7.34,-1.93,;-7.34,-3.46,;4.67,-1.16,;6,-1.93,)|
Show InChI InChI=1S/C28H28FNO4/c29-25-8-4-5-9-26(25)34-24-16-14-22(15-17-24)27(31)30(18-20-6-2-1-3-7-20)19-21-10-12-23(13-11-21)28(32)33/h1-13,22,24H,14-19H2,(H,32,33)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 690n/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