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BDBM22496 3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid::CHEMBL207881::carboxylic acid agonist, 2

SMILES: OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1

InChI Key: InChIKey=DGENZVKCTGIDRZ-UHFFFAOYSA-N

Data: 1 KI  19 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 20 hits for monomerid = 22496   
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))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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219n/an/an/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Displacement of 3-(2-Fluoro-4-((2'-methyl-4'-(2-(2-((7-nitrobenzo[c][1,2,5]-oxadiazol-4-yl)amino)ethoxy)ethoxy)-[1,1'-biphenyl]-3-yl)-methoxy)phenyl)...


J Med Chem 59: 4849-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00202
BindingDB Entry DOI: 10.7270/Q24T6M9W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 65n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Agonist potency at human GPR40 expressed in CHO cells


Bioorg Med Chem Lett 16: 1840-5 (2006)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 99n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 316n/an/an/an/a



Suez Canal University

Curated by ChEMBL


Assay Description
Agonist activity at FFAR1 (unknown origin) assessed as increase in ERK1/2 MAP kinase phosphorylation


Bioorg Med Chem Lett 24: 5330-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.043
BindingDB Entry DOI: 10.7270/Q2PR7XM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 1.20E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 H86F mutant expressed in HEK-EM 293 cells assessed as increase in intracellular calcium


J Med Chem 50: 2981-9 (2007)


Article DOI: 10.1021/jm0614782
BindingDB Entry DOI: 10.7270/Q2XG9QV4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a>3.00E+4n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 H137A mutant expressed in HEK-EM 293 cells assessed as increase in intracellular calcium


J Med Chem 50: 2981-9 (2007)


Article DOI: 10.1021/jm0614782
BindingDB Entry DOI: 10.7270/Q2XG9QV4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 2.20E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 H86A mutant expressed in HEK-EM 293 cells assessed as increase in intracellular calcium


J Med Chem 50: 2981-9 (2007)


Article DOI: 10.1021/jm0614782
BindingDB Entry DOI: 10.7270/Q2XG9QV4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 6.80E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 H137F mutant expressed in HEK-EM 293 cells assessed as increase in intracellular calcium


J Med Chem 50: 2981-9 (2007)


Article DOI: 10.1021/jm0614782
BindingDB Entry DOI: 10.7270/Q2XG9QV4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 1.78E+4n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 N244A mutant expressed in HEK-EM 293 cells assessed as increase in intracellular calcium


J Med Chem 50: 2981-9 (2007)


Article DOI: 10.1021/jm0614782
BindingDB Entry DOI: 10.7270/Q2XG9QV4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 28n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal eYFP-tagged FFA1 receptor expressed in HEK-293 cells assessed as beta-arrestin2 recruitment incubated for 5 mins...


J Med Chem 59: 4849-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00202
BindingDB Entry DOI: 10.7270/Q24T6M9W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 28.2n/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 4


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 1.41E+3n/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
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 47.9n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 100n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 47.9n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in CHO cells by Gal4 luciferase reporter gene assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 50n/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells after 24 hrs by NFAT-luciferase reporter gene assay


ACS Med Chem Lett 8: 1336-1340 (2017)

More data for this
Ligand-Target Pair
G-protein coupled receptor 120


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 3.50E+3n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR120 expressed in baculovirus infected sf9 cells assessed as increase in calcium flux measured every 1 sec for 60 secs by...


Bioorg Med Chem Lett 28: 2599-2604 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 48n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in HEK293 cells assessed as increase in calcium flux measured every 2 secs for 90 secs by Calcium-3 dye bas...


Bioorg Med Chem Lett 28: 2599-2604 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 79n/an/an/a22



GSK



Assay Description
The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...


Bioorg Med Chem Lett 17: 1584-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.084
BindingDB Entry DOI: 10.7270/Q2862DRR
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 13n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair