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Compile Data Set for Download or QSAR

Found 380 hits with Last Name = 'hudson' and Initial = 'bd'   
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 1


(Homo sapiens (Human))
BDBM50395072
PNG
(CHEMBL2164242)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C27H30FNO5S/c1-19-15-24(34-13-4-14-35(2,32)33)10-11-25(19)22-6-3-5-20(16-22)18-29-23-9-7-21(26(28)17-23)8-12-27(30)31/h3,5-7,9-11,15-17,29H,4,8,12-14,18H2,1-2H3,(H,30,31)
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4.40n/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))
BDBM50343141
PNG
(3-(4(2'-Methylbiphenyl-3-ylmethylamino)phenyl)prop...)
Show SMILES Cc1ccccc1-c1cccc(CNc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C23H23NO2/c1-17-5-2-3-8-22(17)20-7-4-6-19(15-20)16-24-21-12-9-18(10-13-21)11-14-23(25)26/h2-10,12-13,15,24H,11,14,16H2,1H3,(H,25,26)
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5.90n/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))
BDBM50386790
PNG
(CHEMBL1829174 | CHEMBL2047159 | TAK-875 | US119052...)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
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29n/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
3D
3D Structure (crystal)
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50362690
PNG
(AMG-837 | CHEMBL1829173)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C26H21F3O3/c1-2-4-21(16-25(30)31)20-9-13-24(14-10-20)32-17-18-5-3-6-22(15-18)19-7-11-23(12-8-19)26(27,28)29/h3,5-15,21H,16-17H2,1H3,(H,30,31)/t21-/m0/s1
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42n/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))
BDBM50306384
PNG
(5-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)...)
Show SMILES Cc1cc(Oc2ncc(cc2Cl)C(F)(F)F)ccc1Cc1sc(=O)[nH]c1O
Show InChI InChI=1S/C17H12ClF3N2O3S/c1-8-4-11(3-2-9(8)5-13-14(24)23-16(25)27-13)26-15-12(18)6-10(7-22-15)17(19,20)21/h2-4,6-7,24H,5H2,1H3,(H,23,25)
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69n/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))
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)


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))
BDBM50425662
PNG
(CHEMBL2315528)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1ccccc1CC#N
Show InChI InChI=1S/C19H15NO2/c20-14-13-18-4-2-1-3-17(18)11-9-15-5-7-16(8-6-15)10-12-19(21)22/h1-8H,10,12-13H2,(H,21,22)
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204n/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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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))
BDBM50275597
PNG
(3-(4-(o-Tolylethynyl)phenyl)propanoic acid | CHEMB...)
Show SMILES Cc1ccccc1C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C18H16O2/c1-14-4-2-3-5-17(14)12-10-15-6-8-16(9-7-15)11-13-18(19)20/h2-9H,11,13H2,1H3,(H,19,20)
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631n/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))
BDBM50339456
PNG
(Benzyloxyphenylpropanoic acid | CHEMBL1688452)
Show SMILES OC(=O)CCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C16H16O3/c17-16(18)11-8-13-6-9-15(10-7-13)19-12-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,17,18)
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1.38E+4n/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))
BDBM50196326
PNG
(CHEMBL3904654)
Show SMILES O=S1(=O)N(Cc2ccccc12)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C19H15NO3S/c21-24(22)19-12-5-4-7-15(19)14-20(24)16-8-6-11-18(13-16)23-17-9-2-1-3-10-17/h1-13H,14H2
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n/an/a 174n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196400
PNG
(CHEMBL3979588)
Show SMILES Fc1cc(Oc2ccc(cc2)C#N)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C20H13FN2O3S/c21-16-9-17(23-13-15-3-1-2-4-20(15)27(23,24)25)11-19(10-16)26-18-7-5-14(12-22)6-8-18/h1-11H,13H2
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n/an/a 617n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196395
PNG
(CHEMBL3958418)
Show SMILES Fc1cc(OCc2ccccc2)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C20H16FNO3S/c21-17-10-18(12-19(11-17)25-14-15-6-2-1-3-7-15)22-13-16-8-4-5-9-20(16)26(22,23)24/h1-12H,13-14H2
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n/an/a 2.46E+3n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196399
PNG
(CHEMBL3932897)
Show SMILES Cc1ccc(Oc2cc(F)cc(c2)N2Cc3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C20H16FNO3S/c1-14-6-8-18(9-7-14)25-19-11-16(21)10-17(12-19)22-13-15-4-2-3-5-20(15)26(22,23)24/h2-12H,13H2,1H3
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n/an/a 2.88E+3n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196407
PNG
(CHEMBL3923955)
Show SMILES Fc1cc(Oc2cccc(c2)C#N)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C20H13FN2O3S/c21-16-9-17(23-13-15-5-1-2-7-20(15)27(23,24)25)11-19(10-16)26-18-6-3-4-14(8-18)12-22/h1-11H,13H2
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n/an/a 3.39E+3n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196324
PNG
(CHEMBL3945213)
Show SMILES Fc1cc(Oc2ccccc2)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C19H14FNO3S/c20-15-10-16(12-18(11-15)24-17-7-2-1-3-8-17)21-13-14-6-4-5-9-19(14)25(21,22)23/h1-12H,13H2
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n/an/a 3.89E+3n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196405
PNG
(CHEMBL3931570)
Show SMILES CCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H18FNO2S/c1-2-3-4-13-5-9-15(10-6-13)18-21(19,20)16-11-7-14(17)8-12-16/h5-12,18H,2-4H2,1H3
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n/an/a 8.13E+3n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196410
PNG
(CHEMBL3913640)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H17NO3S/c1-15-7-13-19(14-8-15)24(21,22)20-16-9-11-18(12-10-16)23-17-5-3-2-4-6-17/h2-14,20H,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50196324
PNG
(CHEMBL3945213)
Show SMILES Fc1cc(Oc2ccccc2)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C19H14FNO3S/c20-15-10-16(12-18(11-15)24-17-7-2-1-3-8-17)21-13-14-6-4-5-9-19(14)25(21,22)23/h1-12H,13H2
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n/an/a<1.00E+4n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at C-terminal YFP-tagged human FFA4 expressed in HEK293 cells in presence of coelentrazine h by BRET based beta-arrestin-2 interacti...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196406
PNG
(CHEMBL3893258)
Show SMILES CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H16FNO3S/c1-21(25(22,23)19-13-7-15(20)8-14-19)16-9-11-18(12-10-16)24-17-5-3-2-4-6-17/h2-14H,1H3
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n/an/a 1.07E+4n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196404
PNG
(CHEMBL3894632)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H14FNO3S/c19-14-6-12-18(13-7-14)24(21,22)20-15-8-10-17(11-9-15)23-16-4-2-1-3-5-16/h1-13,20H
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n/an/a 1.29E+4n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196323
PNG
(CHEMBL3950610)
Show SMILES Fc1cc(Oc2cccc(CC#N)c2)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C21H15FN2O3S/c22-17-11-18(24-14-16-5-1-2-7-21(16)28(24,25)26)13-20(12-17)27-19-6-3-4-15(10-19)8-9-23/h1-7,10-13H,8,14H2
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196398
PNG
(CHEMBL3960369)
Show SMILES Cc1cccc(Oc2cc(F)cc(c2)N2Cc3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C20H16FNO3S/c1-14-5-4-7-18(9-14)25-19-11-16(21)10-17(12-19)22-13-15-6-2-3-8-20(15)26(22,23)24/h2-12H,13H2,1H3
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n/an/a 2.51E+4n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196397
PNG
(CHEMBL3969073)
Show SMILES Cc1ccccc1Oc1cc(F)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C20H16FNO3S/c1-14-6-2-4-8-19(14)25-18-11-16(21)10-17(12-18)22-13-15-7-3-5-9-20(15)26(22,23)24/h2-12H,13H2,1H3
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n/an/a 4.47E+4n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196325
PNG
(CHEMBL3908362)
Show SMILES Fc1cc(Oc2cccnc2)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C18H13FN2O3S/c19-14-8-15(10-17(9-14)24-16-5-3-7-20-11-16)21-12-13-4-1-2-6-18(13)25(21,22)23/h1-11H,12H2
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n/an/a<1.00E+5n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196394
PNG
(CHEMBL3941880)
Show SMILES Fc1cc(Oc2ccccn2)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C18H13FN2O3S/c19-14-9-15(11-16(10-14)24-18-7-3-4-8-20-18)21-12-13-5-1-2-6-17(13)25(21,22)23/h1-11H,12H2
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n/an/a<1.00E+5n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196402
PNG
(CHEMBL3910333)
Show SMILES Clc1cc(Oc2ccccn2)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C18H13ClN2O3S/c19-14-9-15(11-16(10-14)24-18-7-3-4-8-20-18)21-12-13-5-1-2-6-17(13)25(21,22)23/h1-11H,12H2
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n/an/a<1.00E+5n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG770-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196396
PNG
(CHEMBL3899190)
Show SMILES O=S1(=O)N(Cc2ccccc12)c1cccc(Oc2ccccn2)c1
Show InChI InChI=1S/C18H14N2O3S/c21-24(22)17-9-2-1-6-14(17)13-20(24)15-7-5-8-16(12-15)23-18-10-3-4-11-19-18/h1-12H,13H2
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n/an/a<1.00E+5n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196401
PNG
(CHEMBL3971461)
Show SMILES Fc1cc(Oc2ccncc2)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C18H13FN2O3S/c19-14-9-15(11-17(10-14)24-16-5-7-20-8-6-16)21-12-13-3-1-2-4-18(13)25(21,22)23/h1-11H,12H2
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n/an/a<1.00E+5n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196408
PNG
(CHEMBL3951664)
Show SMILES Fc1cc(Oc2ccccc2C#N)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C20H13FN2O3S/c21-16-9-17(23-13-15-6-2-4-8-20(15)27(23,24)25)11-18(10-16)26-19-7-3-1-5-14(19)12-22/h1-11H,13H2
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n/an/a<1.00E+5n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
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
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