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Compile Data Set for Download or QSAR

Found 3829 hits Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 1'   
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))		BDBM50563846
PNG
(CHEMBL4787010)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)c(c2)C(F)(F)F)cc1 |r,c:26|
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 1.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50563845
PNG
(CHEMBL4793371)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)c(C)c2)cc1 |r,c:26|
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 1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50563843
PNG
(CHEMBL4798993)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)c(Cl)c2)cc1 |r,c:26|
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TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50563857
PNG
(CHEMBL4797858)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(c5ccccc45)c4ccccc4)CC3)cc2)cc1 |r|
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TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
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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 2.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50563844
PNG
(CHEMBL4781604)
Show SMILES COc1cc(COc2ccc(cc2)[C@H](CC(O)=O)C#CC)ccc1CN1CCC2(CC1)C=Cc1ccccc21 |r,c:34|
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TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50563860
PNG
(CHEMBL4788206)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C)c5ccc(cc45)C(F)(F)F)CC3)cc2)cc1 |r|
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TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50563858
PNG
(CHEMBL4785057)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C)c5c4cccc5Cl)CC3)cc2)cc1 |r|
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 3.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50563849
PNG
(CHEMBL4797124)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cc(C)c(CN3CCC4(CC3)C=Cc3ccccc43)s2)cc1 |r,c:27|
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 3.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50563842
PNG
(CHEMBL4798023)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)c(F)c2)cc1 |r,c:26|
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TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50563856
PNG
(CHEMBL4800563)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C(C)C)c5ccccc45)CC3)cc2)cc1 |r|
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TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386646
PNG
(CHEMBL2048622)
Show SMILES CCS(=O)(=O)CCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C28H31FO6S/c1-4-36(32,33)13-12-34-25-14-19(2)28(20(3)15-25)23-7-5-6-21(16-23)18-35-24-10-8-22(26(29)17-24)9-11-27(30)31/h5-8,10,14-17H,4,9,11-13,18H2,1-3H3,(H,30,31)
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 4.20n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...

J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
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


(Rattus norvegicus)		BDBM50386648
PNG
(CHEMBL2048625)
Show SMILES CCS(=O)(=O)CCOc1cc(C)c(c(C)c1)-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C28H32FNO5S/c1-4-36(33,34)13-12-35-25-14-19(2)28(20(3)15-25)23-7-5-6-21(16-23)18-30-24-10-8-22(26(29)17-24)9-11-27(31)32/h5-8,10,14-17,30H,4,9,11-13,18H2,1-3H3,(H,31,32)
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 4.5n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...

J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386650
PNG
(CHEMBL2048627)
Show SMILES Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C30H34FNO6S/c1-20-14-26(38-19-30(35)10-12-39(36,37)13-11-30)15-21(2)29(20)24-5-3-4-22(16-24)18-32-25-8-6-23(27(31)17-25)7-9-28(33)34/h3-6,8,14-17,32,35H,7,9-13,18-19H2,1-2H3,(H,33,34)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...

J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386644
PNG
(CHEMBL2048618)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C28H31FO5/c1-4-32-12-13-33-25-14-19(2)28(20(3)15-25)23-7-5-6-21(16-23)18-34-24-10-8-22(26(29)17-24)9-11-27(30)31/h5-8,10,14-17H,4,9,11-13,18H2,1-3H3,(H,30,31)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...

J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50563854
PNG
(CHEMBL4791842)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc45)CC3)cc2)cc1 |r|
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 4.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200369
PNG
(CHEMBL3915620)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1 |r,c:26|
Show InChI InChI=1S/C33H33NO3/c1-2-5-29(22-32(35)36)27-12-14-30(15-13-27)37-24-26-10-8-25(9-11-26)23-34-20-18-33(19-21-34)17-16-28-6-3-4-7-31(28)33/h3-4,6-17,29H,18-24H2,1H3,(H,35,36)/t29-/m0/s1
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 4.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200369
PNG
(CHEMBL3915620)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1 |r,c:26|
Show InChI InChI=1S/C33H33NO3/c1-2-5-29(22-32(35)36)27-12-14-30(15-13-27)37-24-26-10-8-25(9-11-26)23-34-20-18-33(19-21-34)17-16-28-6-3-4-7-31(28)33/h3-4,6-17,29H,18-24H2,1H3,(H,35,36)/t29-/m0/s1
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 4.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou...

J Med Chem 61: 934-945 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01411
BindingDB Entry DOI: 10.7270/Q2CZ39K5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50563848
PNG
(CHEMBL4782004)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)s2)cc1 |r,c:26|
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 4.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386649
PNG
(CHEMBL2048626)
Show SMILES Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C29H32FNO5S/c1-19-14-26(36-25-10-12-37(34,35)13-11-25)15-20(2)29(19)23-5-3-4-21(16-23)18-31-24-8-6-22(27(30)17-24)7-9-28(32)33/h3-6,8,14-17,25,31H,7,9-13,18H2,1-2H3,(H,32,33)
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 5.10n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...

J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386641
PNG
(CHEMBL2048615)
Show SMILES Cc1cc(OCC2CC2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C28H30O4/c1-19-14-26(32-17-22-6-7-22)15-20(2)28(19)24-5-3-4-23(16-24)18-31-25-11-8-21(9-12-25)10-13-27(29)30/h3-5,8-9,11-12,14-16,22H,6-7,10,13,17-18H2,1-2H3,(H,29,30)
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 5.60n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...

J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
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


(Rattus norvegicus)		BDBM50386640
PNG
(CHEMBL2048614)
Show SMILES COc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C25H26O4/c1-17-13-23(28-3)14-18(2)25(17)21-6-4-5-20(15-21)16-29-22-10-7-19(8-11-22)9-12-24(26)27/h4-8,10-11,13-15H,9,12,16H2,1-3H3,(H,26,27)
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 6.20n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...

J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386651
PNG
(CHEMBL2048628)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C28H32FNO4/c1-4-33-12-13-34-25-14-19(2)28(20(3)15-25)23-7-5-6-21(16-23)18-30-24-10-8-22(26(29)17-24)9-11-27(31)32/h5-8,10,14-17,30H,4,9,11-13,18H2,1-3H3,(H,31,32)
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 6.20n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...

J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386637
PNG
(CHEMBL2048623)
Show SMILES Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C29H31FO6S/c1-19-14-26(36-24-10-12-37(33,34)13-11-24)15-20(2)29(19)23-5-3-4-21(16-23)18-35-25-8-6-22(27(30)17-25)7-9-28(31)32/h3-6,8,14-17,24H,7,9-13,18H2,1-2H3,(H,31,32)
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 6.40n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...

J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386638
PNG
(CHEMBL2048620)
Show SMILES Cc1cccc(Oc2cc(C)c(c(C)c2)-c2cccc(COc3ccc(CCC(O)=O)c(F)c3)c2)n1
Show InChI InChI=1S/C30H28FNO4/c1-19-14-26(36-28-9-4-6-21(3)32-28)15-20(2)30(19)24-8-5-7-22(16-24)18-35-25-12-10-23(27(31)17-25)11-13-29(33)34/h4-10,12,14-17H,11,13,18H2,1-3H3,(H,33,34)
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 6.70n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...

J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386642
PNG
(CHEMBL2048616)
Show SMILES Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C31H30O4/c1-22-17-29(35-20-25-7-4-3-5-8-25)18-23(2)31(22)27-10-6-9-26(19-27)21-34-28-14-11-24(12-15-28)13-16-30(32)33/h3-12,14-15,17-19H,13,16,20-21H2,1-2H3,(H,32,33)
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 6.70n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...

J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386639
PNG
(CHEMBL2048619)
Show SMILES Cc1cc(OC2CCOCC2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C29H31FO5/c1-19-14-26(35-24-10-12-33-13-11-24)15-20(2)29(19)23-5-3-4-21(16-23)18-34-25-8-6-22(27(30)17-25)7-9-28(31)32/h3-6,8,14-17,24H,7,9-13,18H2,1-2H3,(H,31,32)
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 6.70n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...

J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50382530
PNG
(CHEMBL2022256)
Show SMILES Cc1cccc(C)c1-c1cc(COc2ccc3C(CC(O)=O)COc3c2)ccc1OCc1ccccc1 |(29.58,-44.67,;29.58,-46.21,;28.25,-46.98,;28.26,-48.52,;29.6,-49.29,;30.93,-48.51,;32.27,-49.27,;30.92,-46.98,;32.25,-46.2,;33.58,-46.97,;34.91,-46.2,;36.24,-46.97,;37.58,-46.19,;38.91,-46.96,;38.91,-48.5,;40.25,-49.26,;41.58,-48.48,;43.05,-48.94,;43.53,-50.41,;45.04,-50.72,;45.53,-52.18,;46.06,-49.56,;43.94,-47.69,;43.03,-46.45,;41.57,-46.94,;40.23,-46.18,;34.9,-44.66,;33.56,-43.89,;32.23,-44.67,;30.89,-43.91,;30.88,-42.37,;29.54,-41.61,;29.53,-40.08,;28.19,-39.32,;26.87,-40.1,;26.88,-41.65,;28.22,-42.4,)|
Show InChI InChI=1S/C32H30O5/c1-21-7-6-8-22(2)32(21)28-15-24(11-14-29(28)36-18-23-9-4-3-5-10-23)19-35-26-12-13-27-25(16-31(33)34)20-37-30(27)17-26/h3-15,17,25H,16,18-20H2,1-2H3,(H,33,34)
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 6.90n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from human GPR40 receptor expressed in C...

J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
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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 7.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50563863
PNG
(CHEMBL4787498)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc45)CC3)s2)cc1 |r|
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 8.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50247164
PNG
(CHEMBL4101901)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(s2)N2CCC3(CCc4ccccc34)CC2)cc1 |r|
Show InChI InChI=1S/C30H31NO3S/c1-2-5-24(20-29(32)33)22-8-10-25(11-9-22)34-21-26-12-13-28(35-26)31-18-16-30(17-19-31)15-14-23-6-3-4-7-27(23)30/h3-4,6-13,24H,14-21H2,1H3,(H,32,33)/t24-/m0/s1
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 8.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou...

J Med Chem 61: 934-945 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01411
BindingDB Entry DOI: 10.7270/Q2CZ39K5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386647
PNG
(CHEMBL2048624)
Show SMILES Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C30H33FO7S/c1-20-14-26(38-19-30(34)10-12-39(35,36)13-11-30)15-21(2)29(20)24-5-3-4-22(16-24)18-37-25-8-6-23(27(31)17-25)7-9-28(32)33/h3-6,8,14-17,34H,7,9-13,18-19H2,1-2H3,(H,32,33)
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 8.20n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...

J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386792
PNG
(CHEMBL2047161)
Show SMILES CN1CCC(CC1)Oc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C31H35NO5/c1-20-13-27(37-25-9-11-32(3)12-10-25)14-21(2)31(20)23-6-4-5-22(15-23)18-35-26-7-8-28-24(16-30(33)34)19-36-29(28)17-26/h4-8,13-15,17,24-25H,9-12,16,18-19H2,1-3H3,(H,33,34)/t24-/m1/s1
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 8.80n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386645
PNG
(CHEMBL2048621)
Show SMILES Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C31H34FNO5/c1-21-16-27(37-15-5-14-33-13-4-8-29(33)34)17-22(2)31(21)25-7-3-6-23(18-25)20-38-26-11-9-24(28(32)19-26)10-12-30(35)36/h3,6-7,9,11,16-19H,4-5,8,10,12-15,20H2,1-2H3,(H,35,36)
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 9.70n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...

J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386643
PNG
(CHEMBL2048617)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C28H32O5/c1-4-31-14-15-32-26-16-20(2)28(21(3)17-26)24-7-5-6-23(18-24)19-33-25-11-8-22(9-12-25)10-13-27(29)30/h5-9,11-12,16-18H,4,10,13-15,19H2,1-3H3,(H,29,30)
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 10n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...

J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267028
PNG
(CHEMBL4073525)
Show SMILES Cc1cc(OCc2ccccc2)ccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C27H26F3NO4/c1-18-13-24(34-17-19-5-3-2-4-6-19)11-12-25(18)35-23-9-7-21(8-10-23)31-16-20(27(28,29)30)14-22(31)15-26(32)33/h2-13,20,22H,14-17H2,1H3,(H,32,33)/t20-,22-/m0/s1
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 10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386795
PNG
(CHEMBL2047164)
Show SMILES CCc1cc(OCCCS(C)(=O)=O)cc(CC)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C31H36O7S/c1-4-22-15-27(36-12-7-13-39(3,34)35)16-23(5-2)31(22)24-9-6-8-21(14-24)19-37-26-10-11-28-25(17-30(32)33)20-38-29(28)18-26/h6,8-11,14-16,18,25H,4-5,7,12-13,17,19-20H2,1-3H3,(H,32,33)/t25-/m1/s1
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 11n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50563855
PNG
(CHEMBL4780641)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C)c5ccccc45)CC3)cc2)cc1 |r|
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 11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386644
PNG
(CHEMBL2048618)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C28H31FO5/c1-4-32-12-13-33-25-14-19(2)28(20(3)15-25)23-7-5-6-21(16-23)18-34-24-10-8-22(26(29)17-24)9-11-27(30)31/h5-8,10,14-17H,4,9,11-13,18H2,1-3H3,(H,30,31)
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 12n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from human GPR40 receptor expressed in CH...

J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386801
PNG
(CHEMBL2047170)
Show SMILES Cc1c(Cl)c(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H30Cl2O7S/c1-17-26(18(2)28(31)29(27(17)30)36-10-5-11-39(3,34)35)20-7-4-6-19(12-20)15-37-22-8-9-23-21(13-25(32)33)16-38-24(23)14-22/h4,6-9,12,14,21H,5,10-11,13,15-16H2,1-3H3,(H,32,33)/t21-/m1/s1
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 12n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386793
PNG
(CHEMBL2047162)
Show SMILES Cc1nc(C)c(COc2cc(C)c(c(C)c2)-c2cccc(COc3ccc4[C@H](CC(O)=O)COc4c3)c2)s1 |r|
Show InChI InChI=1S/C31H31NO5S/c1-18-10-26(36-17-29-20(3)32-21(4)38-29)11-19(2)31(18)23-7-5-6-22(12-23)15-35-25-8-9-27-24(13-30(33)34)16-37-28(27)14-25/h5-12,14,24H,13,15-17H2,1-4H3,(H,33,34)/t24-/m1/s1
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 12n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386638
PNG
(CHEMBL2048620)
Show SMILES Cc1cccc(Oc2cc(C)c(c(C)c2)-c2cccc(COc3ccc(CCC(O)=O)c(F)c3)c2)n1
Show InChI InChI=1S/C30H28FNO4/c1-19-14-26(36-28-9-4-6-21(3)32-28)15-20(2)30(19)24-8-5-7-22(16-24)18-35-25-12-10-23(27(31)17-25)11-13-29(33)34/h4-10,12,14-17H,11,13,18H2,1-3H3,(H,33,34)
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 12n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from human GPR40 receptor expressed in CH...

J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50563840
PNG
(CHEMBL4787628)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1F |r,c:26|
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 13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267031
PNG
(CHEMBL4079930)
Show SMILES Cc1c(Cl)cccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C20H19ClF3NO3/c1-12-17(21)3-2-4-18(12)28-16-7-5-14(6-8-16)25-11-13(20(22,23)24)9-15(25)10-19(26)27/h2-8,13,15H,9-11H2,1H3,(H,26,27)/t13-,15-/m0/s1
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 13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50563859
PNG
(CHEMBL4786335)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C)c5ccc(C)cc45)CC3)cc2)cc1 |r|
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 14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50204020
PNG
(CHEMBL3927519)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2c(C)cccc2C)cc1 |r|
Show InChI InChI=1S/C27H25N3O3/c1-4-6-22(15-25(31)32)21-10-12-23(13-11-21)33-17-20-9-14-24-28-27(29-30(24)16-20)26-18(2)7-5-8-19(26)3/h5,7-14,16,22H,15,17H2,1-3H3,(H,31,32)/t22-/m0/s1
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 15n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou...

J Med Chem 61: 934-945 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01411
BindingDB Entry DOI: 10.7270/Q2CZ39K5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386794
PNG
(CHEMBL2047163)
Show SMILES Cc1cc(OCc2cccc3nccn23)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C33H30N2O5/c1-21-13-28(39-20-26-7-4-8-31-34-11-12-35(26)31)14-22(2)33(21)24-6-3-5-23(15-24)18-38-27-9-10-29-25(16-32(36)37)19-40-30(29)17-27/h3-15,17,25H,16,18-20H2,1-2H3,(H,36,37)/t25-/m1/s1
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 15n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386646
PNG
(CHEMBL2048622)
Show SMILES CCS(=O)(=O)CCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C28H31FO6S/c1-4-36(32,33)13-12-34-25-14-19(2)28(20(3)15-25)23-7-5-6-21(16-23)18-35-24-10-8-22(26(29)17-24)9-11-27(30)31/h5-8,10,14-17H,4,9,11-13,18H2,1-3H3,(H,30,31)
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 15n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from human GPR40 receptor expressed in CH...

J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
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