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SMILES: OC(=O)CCc1ccc(cc1F)C#Cc1ccccc1CC#N

InChI Key: InChIKey=KIZUBVPJNPVIIN-UHFFFAOYSA-N

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 10 hits for monomerid = 50434295   
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))
BDBM50434295
PNG
(CHEMBL2386353)
Show SMILES OC(=O)CCc1ccc(cc1F)C#Cc1ccccc1CC#N
Show InChI InChI=1S/C19H14FNO2/c20-18-13-14(6-8-17(18)9-10-19(22)23)5-7-15-3-1-2-4-16(15)11-12-21/h1-4,6,8,13H,9-11H2,(H,22,23)
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85n/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)


BindingDB Entry DOI: 10.7270/Q24T6M9W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50434295
PNG
(CHEMBL2386353)
Show SMILES OC(=O)CCc1ccc(cc1F)C#Cc1ccccc1CC#N
Show InChI InChI=1S/C19H14FNO2/c20-18-13-14(6-8-17(18)9-10-19(22)23)5-7-15-3-1-2-4-16(15)11-12-21/h1-4,6,8,13H,9-11H2,(H,22,23)
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n/an/an/an/a 5.90n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at FFA1 receptor (unknown origin) expressed in human 132N1 cells measured for 90 secs by Fura-2 AM dye based calcium mobilization as...


J Med Chem 59: 4849-58 (2016)


BindingDB Entry DOI: 10.7270/Q24T6M9W
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50434295
PNG
(CHEMBL2386353)
Show SMILES OC(=O)CCc1ccc(cc1F)C#Cc1ccccc1CC#N
Show InChI InChI=1S/C19H14FNO2/c20-18-13-14(6-8-17(18)9-10-19(22)23)5-7-15-3-1-2-4-16(15)11-12-21/h1-4,6,8,13H,9-11H2,(H,22,23)
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n/an/an/an/a 933n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at C-terminal yellow fluorescent protein-fused human FFA4 receptor transfected in HEK293 cells after 5 mins by BRET assay


ACS Med Chem Lett 4: 441-445 (2013)


Article DOI: 10.1021/ml4000673
BindingDB Entry DOI: 10.7270/Q2F1914M
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50434295
PNG
(CHEMBL2386353)
Show SMILES OC(=O)CCc1ccc(cc1F)C#Cc1ccccc1CC#N
Show InChI InChI=1S/C19H14FNO2/c20-18-13-14(6-8-17(18)9-10-19(22)23)5-7-15-3-1-2-4-16(15)11-12-21/h1-4,6,8,13H,9-11H2,(H,22,23)
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PubMed
n/an/an/an/a 6.20n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor transfected in human 1321N1 cells by calcium mobilization assay


ACS Med Chem Lett 4: 441-445 (2013)


Article DOI: 10.1021/ml4000673
BindingDB Entry DOI: 10.7270/Q2F1914M
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)
BDBM50434295
PNG
(CHEMBL2386353)
Show SMILES OC(=O)CCc1ccc(cc1F)C#Cc1ccccc1CC#N
Show InChI InChI=1S/C19H14FNO2/c20-18-13-14(6-8-17(18)9-10-19(22)23)5-7-15-3-1-2-4-16(15)11-12-21/h1-4,6,8,13H,9-11H2,(H,22,23)
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PubMed
n/an/an/an/a 148n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at mouse FFA1 receptor transfected in human T-REX-293 cells measured for 74 secs by calcium mobilization assay


ACS Med Chem Lett 4: 441-445 (2013)


Article DOI: 10.1021/ml4000673
BindingDB Entry DOI: 10.7270/Q2F1914M
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50434295
PNG
(CHEMBL2386353)
Show SMILES OC(=O)CCc1ccc(cc1F)C#Cc1ccccc1CC#N
Show InChI InChI=1S/C19H14FNO2/c20-18-13-14(6-8-17(18)9-10-19(22)23)5-7-15-3-1-2-4-16(15)11-12-21/h1-4,6,8,13H,9-11H2,(H,22,23)
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Article
PubMed
n/an/an/an/a 26n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at C-terminal yellow fluorescent protein-fused human FFA1 receptor transfected in HEK293 cells after 5 mins by BRET assay in presenc...


ACS Med Chem Lett 4: 441-445 (2013)


Article DOI: 10.1021/ml4000673
BindingDB Entry DOI: 10.7270/Q2F1914M
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50434295
PNG
(CHEMBL2386353)
Show SMILES OC(=O)CCc1ccc(cc1F)C#Cc1ccccc1CC#N
Show InChI InChI=1S/C19H14FNO2/c20-18-13-14(6-8-17(18)9-10-19(22)23)5-7-15-3-1-2-4-16(15)11-12-21/h1-4,6,8,13H,9-11H2,(H,22,23)
PDB

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antibodypedia
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CHEMBL
MCE
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UniChem

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Article
PubMed
n/an/an/an/a 23n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at C-terminal yellow fluorescent protein-fused human FFA1 receptor transfected in HEK293 cells after 5 mins by BRET assay


ACS Med Chem Lett 4: 441-445 (2013)


Article DOI: 10.1021/ml4000673
BindingDB Entry DOI: 10.7270/Q2F1914M
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50434295
PNG
(CHEMBL2386353)
Show SMILES OC(=O)CCc1ccc(cc1F)C#Cc1ccccc1CC#N
Show InChI InChI=1S/C19H14FNO2/c20-18-13-14(6-8-17(18)9-10-19(22)23)5-7-15-3-1-2-4-16(15)11-12-21/h1-4,6,8,13H,9-11H2,(H,22,23)
PDB

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antibodypedia
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CHEMBL
MCE
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UniChem

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Article
PubMed
n/an/an/an/a 6n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor transfected in human 1321N1 cells by calcium mobilization assay


ACS Med Chem Lett 4: 441-445 (2013)


Article DOI: 10.1021/ml4000673
BindingDB Entry DOI: 10.7270/Q2F1914M
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50434295
PNG
(CHEMBL2386353)
Show SMILES OC(=O)CCc1ccc(cc1F)C#Cc1ccccc1CC#N
Show InChI InChI=1S/C19H14FNO2/c20-18-13-14(6-8-17(18)9-10-19(22)23)5-7-15-3-1-2-4-16(15)11-12-21/h1-4,6,8,13H,9-11H2,(H,22,23)
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antibodypedia
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CHEMBL
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PubMed
n/an/an/an/a 19n/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)


BindingDB Entry DOI: 10.7270/Q24T6M9W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50434295
PNG
(CHEMBL2386353)
Show SMILES OC(=O)CCc1ccc(cc1F)C#Cc1ccccc1CC#N
Show InChI InChI=1S/C19H14FNO2/c20-18-13-14(6-8-17(18)9-10-19(22)23)5-7-15-3-1-2-4-16(15)11-12-21/h1-4,6,8,13H,9-11H2,(H,22,23)
KEGG

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CHEMBL
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Article
PubMed
n/an/an/an/a 324n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at C-terminal yellow fluorescent protein-fused rat FFA1 receptor transfected in HEK293 cells after 5 mins by BRET assay


ACS Med Chem Lett 4: 441-445 (2013)


Article DOI: 10.1021/ml4000673
BindingDB Entry DOI: 10.7270/Q2F1914M
More data for this
Ligand-Target Pair