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Compile Data Set for Download or QSAR

Found 103 hits with Last Name = 'ejsing' and Initial = 'cs'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450263
PNG
(CHEMBL4176503)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C22H19ClN2O4S/c1-12-19(13(2)29-24-12)14-7-9-15(10-8-14)20(26)25-18(22(27)28)11-30-21(25)16-5-3-4-6-17(16)23/h3-10,18,21H,11H2,1-2H3,(H,27,28)/t18-,21+/m0/s1
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204n/an/an/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Displacement of [3H]-GLPG0974 from human FFA2 expressed in Flp-InT-REx 293 cell membranes after 2 hrs by liquid scintillation spectrometry


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450265
PNG
(CHEMBL4170748)
Show SMILES COc1ccccc1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C24H20ClNO4S/c1-30-21-9-5-3-6-17(21)15-10-12-16(13-11-15)22(27)26-20(24(28)29)14-31-23(26)18-7-2-4-8-19(18)25/h2-13,20,23H,14H2,1H3,(H,28,29)/t20-,23+/m0/s1
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339n/an/an/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Displacement of [3H]-GLPG0974 from human FFA2 expressed in Flp-InT-REx 293 cell membranes after 2 hrs by liquid scintillation spectrometry


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450273
PNG
(CHEMBL4168456)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)C(=O)N1[C@@H](CC[C@@H]1c1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C23H21ClN2O4/c1-13-21(14(2)30-25-13)15-7-9-16(10-8-15)22(27)26-19(11-12-20(26)23(28)29)17-5-3-4-6-18(17)24/h3-10,19-20H,11-12H2,1-2H3,(H,28,29)/t19-,20+/m1/s1
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398n/an/an/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Displacement of [3H]-GLPG0974 from human FFA2 expressed in Flp-InT-REx 293 cell membranes after 2 hrs by liquid scintillation spectrometry


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM403752
PNG
((2S,5R)-5-(2-chlorophenyl)-1-(2'-methoxy-[1,1'-bip...)
Show SMILES COc1ccccc1-c1ccc(cc1)C(=O)N1[C@@H](CC[C@@H]1c1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C25H22ClNO4/c1-31-23-9-5-3-6-18(23)16-10-12-17(13-11-16)24(28)27-21(14-15-22(27)25(29)30)19-7-2-4-8-20(19)26/h2-13,21-22H,14-15H2,1H3,(H,29,30)/t21-,22+/m1/s1
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479n/an/an/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Displacement of [3H]-GLPG0974 from human FFA2 expressed in Flp-InT-REx 293 cell membranes after 2 hrs by liquid scintillation spectrometry


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450268
PNG
(CHEMBL4167577)
Show SMILES OC(=O)[C@@H]1CS[C@@H](N1C(=O)c1ccc(cc1)-c1ccccc1)c1ccccc1Cl |r|
Show InChI InChI=1S/C23H18ClNO3S/c24-19-9-5-4-8-18(19)22-25(20(14-29-22)23(27)28)21(26)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13,20,22H,14H2,(H,27,28)/t20-,22+/m0/s1
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977n/an/an/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Displacement of [3H]-GLPG0974 from human FFA2 expressed in Flp-InT-REx 293 cell membranes after 2 hrs by liquid scintillation spectrometry


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450272
PNG
(CHEMBL4159019)
Show SMILES COc1ccccc1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C24H21NO4S/c1-29-21-10-6-5-9-19(21)16-11-13-17(14-12-16)22(26)25-20(24(27)28)15-30-23(25)18-7-3-2-4-8-18/h2-14,20,23H,15H2,1H3,(H,27,28)/t20-,23+/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Displacement of [3H]-GLPG0974 from human FFA2 expressed in Flp-InT-REx 293 cell membranes after 2 hrs by liquid scintillation spectrometry


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50240347
PNG
((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
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n/an/an/an/a 3.16E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50275510
PNG
(3-(4-(Phenylethynyl)phenyl)propanoic acid | CHEMBL...)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C17H14O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11H,12-13H2,(H,18,19)
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n/an/an/an/a 200n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157566
PNG
(CHEMBL3785667)
Show SMILES OC(=O)CCc1ccc(cc1)C#C
Show InChI InChI=1S/C11H10O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h1,3-6H,7-8H2,(H,12,13)
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n/an/an/an/a<1.00E+5n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157567
PNG
(CHEMBL3785789)
Show SMILES CCCCCCCC#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)14-15-18(19)20/h10-13H,2-7,14-15H2,1H3,(H,19,20)
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n/an/an/an/a 1.45E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157568
PNG
(CHEMBL3787580)
Show SMILES OC(=O)CCc1ccc(cc1)C#CCc1ccccc1
Show InChI InChI=1S/C18H16O2/c19-18(20)14-13-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12H,7,13-14H2,(H,19,20)
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n/an/an/an/a 389n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157569
PNG
(CHEMBL3787151)
Show SMILES OC(=O)CCc1ccc(cc1)C#CCCc1ccccc1
Show InChI InChI=1S/C19H18O2/c20-19(21)15-14-18-12-10-17(11-13-18)9-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4,8,14-15H2,(H,20,21)
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n/an/an/an/a 1.82E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157571
PNG
(CHEMBL3786964)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1CC1
Show InChI InChI=1S/C14H14O2/c15-14(16)10-9-13-7-5-12(6-8-13)4-3-11-1-2-11/h5-8,11H,1-2,9-10H2,(H,15,16)
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n/an/an/an/a 5.01E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157600
PNG
(CHEMBL3787110)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1CCCC1
Show InChI InChI=1S/C16H18O2/c17-16(18)12-11-15-9-7-14(8-10-15)6-5-13-3-1-2-4-13/h7-10,13H,1-4,11-12H2,(H,17,18)
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n/an/an/an/a 490n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157601
PNG
(CHEMBL3786418)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1CCCCC1
Show InChI InChI=1S/C17H20O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h8-11,14H,1-5,12-13H2,(H,18,19)
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n/an/an/an/a 513n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157602
PNG
(CHEMBL3787165)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C17H20O3/c18-16(19)9-8-14-4-6-15(7-5-14)10-13-17(20)11-2-1-3-12-17/h4-7,20H,1-3,8-9,11-12H2,(H,18,19)
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157603
PNG
(CHEMBL3786524)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1=CCCCC1 |t:14|
Show InChI InChI=1S/C17H18O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h4,8-11H,1-3,5,12-13H2,(H,18,19)
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n/an/an/an/a 200n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157613
PNG
(CHEMBL3785544)
Show SMILES CC(=C)C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C14H14O2/c1-11(2)3-4-12-5-7-13(8-6-12)9-10-14(15)16/h5-8H,1,9-10H2,2H3,(H,15,16)
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n/an/an/an/a 417n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157614
PNG
(CHEMBL3786972)
Show SMILES [#6]\[#6](-[#6])=[#6](\[#6])C#Cc1ccc(-[#6]-[#6]-[#6](-[#8])=O)cc1
Show InChI InChI=1S/C16H18O2/c1-12(2)13(3)4-5-14-6-8-15(9-7-14)10-11-16(17)18/h6-9H,10-11H2,1-3H3,(H,17,18)
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n/an/an/an/a 83n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157615
PNG
(CHEMBL3787463)
Show SMILES CC(=C)C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C14H13FO2/c1-10(2)3-4-11-5-6-12(13(15)9-11)7-8-14(16)17/h5-6,9H,1,7-8H2,2H3,(H,16,17)
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n/an/an/an/a 81n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157616
PNG
(CHEMBL3786526)
Show SMILES C\C=C\C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C14H13FO2/c1-2-3-4-5-11-6-7-12(13(15)10-11)8-9-14(16)17/h2-3,6-7,10H,8-9H2,1H3,(H,16,17)/b3-2+
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n/an/an/an/a 209n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157617
PNG
(CHEMBL3785764)
Show SMILES C\C=C(/C)C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C15H15FO2/c1-3-11(2)4-5-12-6-7-13(14(16)10-12)8-9-15(17)18/h3,6-7,10H,8-9H2,1-2H3,(H,17,18)/b11-3+
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n/an/an/an/a 37n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157618
PNG
(CHEMBL3785637)
Show SMILES C\C=C(\C)C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C15H15FO2/c1-3-11(2)4-5-12-6-7-13(14(16)10-12)8-9-15(17)18/h3,6-7,10H,8-9H2,1-2H3,(H,17,18)/b11-3-
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n/an/an/an/a 20n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157619
PNG
(CHEMBL3787072)
Show SMILES C\C=C/C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C14H13FO2/c1-2-3-4-5-11-6-7-12(13(15)10-11)8-9-14(16)17/h2-3,6-7,10H,8-9H2,1H3,(H,16,17)/b3-2-
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n/an/an/an/a 48n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157620
PNG
(CHEMBL3785413)
Show SMILES C\C(=C\CO)C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C15H15FO3/c1-11(8-9-17)2-3-12-4-5-13(14(16)10-12)6-7-15(18)19/h4-5,8,10,17H,6-7,9H2,1H3,(H,18,19)/b11-8-
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n/an/an/an/a 427n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157618
PNG
(CHEMBL3785637)
Show SMILES C\C=C(\C)C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C15H15FO2/c1-3-11(2)4-5-12-6-7-13(14(16)10-12)8-9-15(17)18/h3,6-7,10H,8-9H2,1-2H3,(H,17,18)/b11-3-
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n/an/an/an/a 20n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50240347
PNG
((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
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n/an/an/an/a 3.00E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50275510
PNG
(3-(4-(Phenylethynyl)phenyl)propanoic acid | CHEMBL...)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C17H14O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11H,12-13H2,(H,18,19)
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n/an/an/an/a 8.51E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157566
PNG
(CHEMBL3785667)
Show SMILES OC(=O)CCc1ccc(cc1)C#C
Show InChI InChI=1S/C11H10O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h1,3-6H,7-8H2,(H,12,13)
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n/an/an/an/a<1.00E+5n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157567
PNG
(CHEMBL3785789)
Show SMILES CCCCCCCC#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)14-15-18(19)20/h10-13H,2-7,14-15H2,1H3,(H,19,20)
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n/an/an/an/a 4.07E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157568
PNG
(CHEMBL3787580)
Show SMILES OC(=O)CCc1ccc(cc1)C#CCc1ccccc1
Show InChI InChI=1S/C18H16O2/c19-18(20)14-13-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12H,7,13-14H2,(H,19,20)
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n/an/an/an/a 1.05E+4n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157569
PNG
(CHEMBL3787151)
Show SMILES OC(=O)CCc1ccc(cc1)C#CCCc1ccccc1
Show InChI InChI=1S/C19H18O2/c20-19(21)15-14-18-12-10-17(11-13-18)9-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4,8,14-15H2,(H,20,21)
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n/an/an/an/a 4.79E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157571
PNG
(CHEMBL3786964)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1CC1
Show InChI InChI=1S/C14H14O2/c15-14(16)10-9-13-7-5-12(6-8-13)4-3-11-1-2-11/h5-8,11H,1-2,9-10H2,(H,15,16)
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n/an/an/an/a<1.00E+5n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157600
PNG
(CHEMBL3787110)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1CCCC1
Show InChI InChI=1S/C16H18O2/c17-16(18)12-11-15-9-7-14(8-10-15)6-5-13-3-1-2-4-13/h7-10,13H,1-4,11-12H2,(H,17,18)
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n/an/an/an/a 3.39E+4n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157601
PNG
(CHEMBL3786418)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1CCCCC1
Show InChI InChI=1S/C17H20O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h8-11,14H,1-5,12-13H2,(H,18,19)
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n/an/an/an/a 9.55E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157602
PNG
(CHEMBL3787165)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C17H20O3/c18-16(19)9-8-14-4-6-15(7-5-14)10-13-17(20)11-2-1-3-12-17/h4-7,20H,1-3,8-9,11-12H2,(H,18,19)
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n/an/an/an/a<1.00E+5n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157603
PNG
(CHEMBL3786524)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1=CCCCC1 |t:14|
Show InChI InChI=1S/C17H18O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h4,8-11H,1-3,5,12-13H2,(H,18,19)
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n/an/an/an/a<1.00E+5n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157613
PNG
(CHEMBL3785544)
Show SMILES CC(=C)C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C14H14O2/c1-11(2)3-4-12-5-7-13(8-6-12)9-10-14(15)16/h5-8H,1,9-10H2,2H3,(H,15,16)
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n/an/an/an/a<1.00E+5n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157614
PNG
(CHEMBL3786972)
Show SMILES [#6]\[#6](-[#6])=[#6](\[#6])C#Cc1ccc(-[#6]-[#6]-[#6](-[#8])=O)cc1
Show InChI InChI=1S/C16H18O2/c1-12(2)13(3)4-5-14-6-8-15(9-7-14)10-11-16(17)18/h6-9H,10-11H2,1-3H3,(H,17,18)
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n/an/an/an/a 7.59E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157615
PNG
(CHEMBL3787463)
Show SMILES CC(=C)C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C14H13FO2/c1-10(2)3-4-11-5-6-12(13(15)9-11)7-8-14(16)17/h5-6,9H,1,7-8H2,2H3,(H,16,17)
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n/an/an/an/a<1.00E+5n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157616
PNG
(CHEMBL3786526)
Show SMILES C\C=C\C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C14H13FO2/c1-2-3-4-5-11-6-7-12(13(15)10-11)8-9-14(16)17/h2-3,6-7,10H,8-9H2,1H3,(H,16,17)/b3-2+
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n/an/an/an/a 3.47E+4n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157617
PNG
(CHEMBL3785764)
Show SMILES C\C=C(/C)C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C15H15FO2/c1-3-11(2)4-5-12-6-7-13(14(16)10-12)8-9-15(17)18/h3,6-7,10H,8-9H2,1-2H3,(H,17,18)/b11-3+
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n/an/an/an/a 2.63E+4n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157618
PNG
(CHEMBL3785637)
Show SMILES C\C=C(\C)C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C15H15FO2/c1-3-11(2)4-5-12-6-7-13(14(16)10-12)8-9-15(17)18/h3,6-7,10H,8-9H2,1-2H3,(H,17,18)/b11-3-
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n/an/an/an/a 2.00E+4n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157619
PNG
(CHEMBL3787072)
Show SMILES C\C=C/C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C14H13FO2/c1-2-3-4-5-11-6-7-12(13(15)10-11)8-9-14(16)17/h2-3,6-7,10H,8-9H2,1H3,(H,16,17)/b3-2-
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n/an/an/an/a 1.78E+4n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157620
PNG
(CHEMBL3785413)
Show SMILES C\C(=C\CO)C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C15H15FO3/c1-11(8-9-17)2-3-12-4-5-13(14(16)10-12)6-7-15(18)19/h4-5,8,10,17H,6-7,9H2,1H3,(H,18,19)/b11-8-
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n/an/an/an/a<1.00E+5n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450259
PNG
(CHEMBL4175455)
Show SMILES OC(=O)[C@@H]1CS[C@@H](N1C(=O)c1cccc(c1)-c1ccccc1)c1ccccc1Cl |r|
Show InChI InChI=1S/C23H18ClNO3S/c24-19-12-5-4-11-18(19)22-25(20(14-29-22)23(27)28)21(26)17-10-6-9-16(13-17)15-7-2-1-3-8-15/h1-13,20,22H,14H2,(H,27,28)/t20-,22+/m0/s1
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n/an/an/an/a 3.98E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA2R expressed in Flp-InT-REx 293 cells assessed as reduction of forskolin-induced cAMP production after 30 mins by TR-FRE...


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450260
PNG
(CHEMBL4161397)
Show SMILES OC(=O)[C@@H]1CS[C@@H](N1C(=O)c1ccc(cc1)-c1ccccc1Cl)c1ccccc1Cl |r|
Show InChI InChI=1S/C23H17Cl2NO3S/c24-18-7-3-1-5-16(18)14-9-11-15(12-10-14)21(27)26-20(23(28)29)13-30-22(26)17-6-2-4-8-19(17)25/h1-12,20,22H,13H2,(H,28,29)/t20-,22+/m0/s1
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n/an/an/an/a 912n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA2R expressed in Flp-InT-REx 293 cells assessed as reduction of forskolin-induced cAMP production after 30 mins by TR-FRE...


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450261
PNG
(CHEMBL4173130)
Show SMILES COc1ccccc1C#Cc1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C26H20ClNO4S/c1-32-23-9-5-2-6-18(23)13-10-17-11-14-19(15-12-17)24(29)28-22(26(30)31)16-33-25(28)20-7-3-4-8-21(20)27/h2-9,11-12,14-15,22,25H,16H2,1H3,(H,30,31)/t22-,25+/m0/s1
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n/an/an/an/a 2.24E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA2R expressed in Flp-InT-REx 293 cells assessed as reduction of forskolin-induced cAMP production after 30 mins by TR-FRE...


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450262
PNG
(CHEMBL4171813)
Show SMILES COc1ccccc1[C@H]1SC[C@H](N1C(=O)c1ccc(cc1)-c1c(C)noc1C)C(O)=O |r|
Show InChI InChI=1S/C23H22N2O5S/c1-13-20(14(2)30-24-13)15-8-10-16(11-9-15)21(26)25-18(23(27)28)12-31-22(25)17-6-4-5-7-19(17)29-3/h4-11,18,22H,12H2,1-3H3,(H,27,28)/t18-,22+/m0/s1
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n/an/an/an/a 1.66E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA2R expressed in Flp-InT-REx 293 cells assessed as reduction of forskolin-induced cAMP production after 30 mins by TR-FRE...


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450263
PNG
(CHEMBL4176503)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C22H19ClN2O4S/c1-12-19(13(2)29-24-12)14-7-9-15(10-8-14)20(26)25-18(22(27)28)11-30-21(25)16-5-3-4-6-17(16)23/h3-10,18,21H,11H2,1-2H3,(H,27,28)/t18-,21+/m0/s1
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n/an/an/an/a 78n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA2R expressed in Flp-InT-REx 293 cells assessed as reduction of forskolin-induced cAMP production after 30 mins by TR-FRE...


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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