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BDBM251725 US10100018, Example 61::US9464060, 61

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

InChI Key: InChIKey=DCOUVLUIDXWAHJ-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 = 251725   
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))
BDBM251725
PNG
(US10100018, Example 61 | US9464060, 61)
Show SMILES COc1ccccc1Oc1ccc(cc1)C(=O)N(Cc1ccc(cc1)C(O)=O)CC(F)(F)F
Show InChI InChI=1S/C24H20F3NO5/c1-32-20-4-2-3-5-21(20)33-19-12-10-17(11-13-19)22(29)28(15-24(25,26)27)14-16-6-8-18(9-7-16)23(30)31/h2-13H,14-15H2,1H3,(H,30,31)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/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))
BDBM251725
PNG
(US10100018, Example 61 | US9464060, 61)
Show SMILES COc1ccccc1Oc1ccc(cc1)C(=O)N(Cc1ccc(cc1)C(O)=O)CC(F)(F)F
Show InChI InChI=1S/C24H20F3NO5/c1-32-20-4-2-3-5-21(20)33-19-12-10-17(11-13-19)22(29)28(15-24(25,26)27)14-16-6-8-18(9-7-16)23(30)31/h2-13H,14-15H2,1H3,(H,30,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
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)


BindingDB Entry DOI: 10.7270/Q2PR7Z0N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM251725
PNG
(US10100018, Example 61 | US9464060, 61)
Show SMILES COc1ccccc1Oc1ccc(cc1)C(=O)N(Cc1ccc(cc1)C(O)=O)CC(F)(F)F
Show InChI InChI=1S/C24H20F3NO5/c1-32-20-4-2-3-5-21(20)33-19-12-10-17(11-13-19)22(29)28(15-24(25,26)27)14-16-6-8-18(9-7-16)23(30)31/h2-13H,14-15H2,1H3,(H,30,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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))
BDBM251725
PNG
(US10100018, Example 61 | US9464060, 61)
Show SMILES COc1ccccc1Oc1ccc(cc1)C(=O)N(Cc1ccc(cc1)C(O)=O)CC(F)(F)F
Show InChI InChI=1S/C24H20F3NO5/c1-32-20-4-2-3-5-21(20)33-19-12-10-17(11-13-19)22(29)28(15-24(25,26)27)14-16-6-8-18(9-7-16)23(30)31/h2-13H,14-15H2,1H3,(H,30,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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