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BDBM251667 US10100018, Example 3::US9464060, 3

SMILES: OC(=O)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1

InChI Key: InChIKey=IEJGGFJTLXGJPD-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 251667   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM251667
PNG
(US10100018, Example 3 | US9464060, 3)
Show SMILES OC(=O)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
Show InChI InChI=1S/C23H17F4NO4/c24-19-3-1-2-4-20(19)32-18-11-9-16(10-12-18)21(29)28(14-23(25,26)27)13-15-5-7-17(8-6-15)22(30)31/h1-12H,13-14H2,(H,30,31)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 43n/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 1


(Homo sapiens (Human))
BDBM251667
PNG
(US10100018, Example 3 | US9464060, 3)
Show SMILES OC(=O)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
Show InChI InChI=1S/C23H17F4NO4/c24-19-3-1-2-4-20(19)32-18-11-9-16(10-12-18)21(29)28(14-23(25,26)27)13-15-5-7-17(8-6-15)22(30)31/h1-12H,13-14H2,(H,30,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 43n/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 1


(Homo sapiens (Human))
BDBM251667
PNG
(US10100018, Example 3 | US9464060, 3)
Show SMILES OC(=O)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
Show InChI InChI=1S/C23H17F4NO4/c24-19-3-1-2-4-20(19)32-18-11-9-16(10-12-18)21(29)28(14-23(25,26)27)13-15-5-7-17(8-6-15)22(30)31/h1-12H,13-14H2,(H,30,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 35n/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 1


(Homo sapiens (Human))
BDBM251667
PNG
(US10100018, Example 3 | US9464060, 3)
Show SMILES OC(=O)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
Show InChI InChI=1S/C23H17F4NO4/c24-19-3-1-2-4-20(19)32-18-11-9-16(10-12-18)21(29)28(14-23(25,26)27)13-15-5-7-17(8-6-15)22(30)31/h1-12H,13-14H2,(H,30,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 35n/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