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BDBM50339461 3-{4-[(3-Phenoxybenzyl)oxy]phenyl}propanoic Acid::CHEMBL1688458

SMILES: OC(=O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1

InChI Key: InChIKey=BWNUDKFBKGPSBH-UHFFFAOYSA-N

Data: 5 EC50

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 5 hits for monomerid = 50339461   
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
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50339461
PNG
(3-{4-[(3-Phenoxybenzyl)oxy]phenyl}propanoic Acid |...)
Show SMILES OC(=O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H20O4/c23-22(24)14-11-17-9-12-19(13-10-17)25-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15H,11,14,16H2,(H,23,24)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 34n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...


J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50339461
PNG
(3-{4-[(3-Phenoxybenzyl)oxy]phenyl}propanoic Acid |...)
Show SMILES OC(=O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H20O4/c23-22(24)14-11-17-9-12-19(13-10-17)25-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15H,11,14,16H2,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 63.1n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at FFAR1 expressed in HEK 293 cells assessed as beta-arrestin recruitment after 30 mins by BRET assay


J Med Chem 55: 4511-5 (2012)


Article DOI: 10.1021/jm300215x
BindingDB Entry DOI: 10.7270/Q21Z45P4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50339461
PNG
(3-{4-[(3-Phenoxybenzyl)oxy]phenyl}propanoic Acid |...)
Show SMILES OC(=O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H20O4/c23-22(24)14-11-17-9-12-19(13-10-17)25-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15H,11,14,16H2,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 57n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human U2OS cells co-expressing Galpha16 assessed as calcium mobilization by Fluo-4 dye based FLI...


Bioorg Med Chem Lett 27: 1278-1283 (2017)


BindingDB Entry DOI: 10.7270/Q2ZK5JWB
More data for this
Ligand-Target Pair
G-protein coupled receptor 120


(Homo sapiens (Human))
BDBM50339461
PNG
(3-{4-[(3-Phenoxybenzyl)oxy]phenyl}propanoic Acid |...)
Show SMILES OC(=O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H20O4/c23-22(24)14-11-17-9-12-19(13-10-17)25-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15H,11,14,16H2,(H,23,24)
Reactome pathway
KEGG

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PubMed
n/an/an/an/a 968n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FFA4 receptor expressed in human U2OS cells co-expressing Galpha16 assessed as calcium mobilization by Fluo-4 dye based FLI...


Bioorg Med Chem Lett 27: 1278-1283 (2017)


BindingDB Entry DOI: 10.7270/Q2ZK5JWB
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50339461
PNG
(3-{4-[(3-Phenoxybenzyl)oxy]phenyl}propanoic Acid |...)
Show SMILES OC(=O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H20O4/c23-22(24)14-11-17-9-12-19(13-10-17)25-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15H,11,14,16H2,(H,23,24)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 562n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at GPR120 expressed in HEK 293 cells assessed as beta-arrestin recruitment after 5 mins by BRET assay


J Med Chem 55: 4511-5 (2012)


Article DOI: 10.1021/jm300215x
BindingDB Entry DOI: 10.7270/Q21Z45P4
More data for this
Ligand-Target Pair