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BDBM251728 US10100018, Example 64::US9464060, 64

SMILES: COc1ccccc1Oc1ccc(cc1)C(=O)N(CCC(F)(F)F)Cc1ccc(cc1)C(O)=O

InChI Key: InChIKey=NJJLCPDOBBYPTD-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 251728   
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))
BDBM251728
PNG
(US10100018, Example 64 | US9464060, 64)
Show SMILES COc1ccccc1Oc1ccc(cc1)C(=O)N(CCC(F)(F)F)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H22F3NO5/c1-33-21-4-2-3-5-22(21)34-20-12-10-18(11-13-20)23(30)29(15-14-25(26,27)28)16-17-6-8-19(9-7-17)24(31)32/h2-13H,14-16H2,1H3,(H,31,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 7n/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))
BDBM251728
PNG
(US10100018, Example 64 | US9464060, 64)
Show SMILES COc1ccccc1Oc1ccc(cc1)C(=O)N(CCC(F)(F)F)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H22F3NO5/c1-33-21-4-2-3-5-22(21)34-20-12-10-18(11-13-20)23(30)29(15-14-25(26,27)28)16-17-6-8-19(9-7-17)24(31)32/h2-13H,14-16H2,1H3,(H,31,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 9n/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))
BDBM251728
PNG
(US10100018, Example 64 | US9464060, 64)
Show SMILES COc1ccccc1Oc1ccc(cc1)C(=O)N(CCC(F)(F)F)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H22F3NO5/c1-33-21-4-2-3-5-22(21)34-20-12-10-18(11-13-20)23(30)29(15-14-25(26,27)28)16-17-6-8-19(9-7-17)24(31)32/h2-13H,14-16H2,1H3,(H,31,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 7n/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))
BDBM251728
PNG
(US10100018, Example 64 | US9464060, 64)
Show SMILES COc1ccccc1Oc1ccc(cc1)C(=O)N(CCC(F)(F)F)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H22F3NO5/c1-33-21-4-2-3-5-22(21)34-20-12-10-18(11-13-20)23(30)29(15-14-25(26,27)28)16-17-6-8-19(9-7-17)24(31)32/h2-13H,14-16H2,1H3,(H,31,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 9n/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