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PubMed code 24900210

Compile data set for download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
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))		BDBM50339476
PNG
(3-{4-[(2',6'-Dimethylbiphenyl-3-yl)methoxy]-2-fluo...)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C24H23FO3/c1-16-5-3-6-17(2)24(16)20-8-4-7-18(13-20)15-28-21-11-9-19(22(25)14-21)10-12-23(26)27/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,26,27)
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 32n/an/an/an/an/an/an/an/a



TBA

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 membrane...

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
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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 38n/an/an/an/an/an/an/an/a



TBA

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 membrane...

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50339476
PNG
(3-{4-[(2',6'-Dimethylbiphenyl-3-yl)methoxy]-2-fluo...)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C24H23FO3/c1-16-5-3-6-17(2)24(16)20-8-4-7-18(13-20)15-28-21-11-9-19(22(25)14-21)10-12-23(26)27/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,26,27)
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 54n/an/an/an/an/an/an/an/a



TBA

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 expressed in CHO membranes ...

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50382542
PNG
(CHEMBL2022244)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCCc3c2)c1
Show InChI InChI=1S/C27H28O3/c1-18-6-3-7-19(2)27(18)23-11-4-8-20(14-23)17-30-24-12-13-25-21(15-24)9-5-10-22(25)16-26(28)29/h3-4,6-8,11-15,22H,5,9-10,16-17H2,1-2H3,(H,28,29)
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 59n/an/an/an/an/an/an/an/a



TBA

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 membrane...

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		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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 140n/an/an/an/an/an/an/an/a



TBA

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 expressed in CHO membranes ...

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50382545
PNG
(CHEMBL2022247)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C25H24O4/c1-16-5-3-6-17(2)25(16)19-8-4-7-18(11-19)14-28-21-9-10-22-20(12-24(26)27)15-29-23(22)13-21/h3-11,13,20H,12,14-15H2,1-2H3,(H,26,27)
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 170n/an/an/an/an/an/an/an/a



TBA

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 membrane...

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50382541
PNG
(CHEMBL2022243)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCc3c2)c1
Show InChI InChI=1S/C26H26O3/c1-17-5-3-6-18(2)26(17)22-8-4-7-19(13-22)16-29-23-11-12-24-20(14-23)9-10-21(24)15-25(27)28/h3-8,11-14,21H,9-10,15-16H2,1-2H3,(H,27,28)
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 210n/an/an/an/an/an/an/an/a



TBA

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 membrane...

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50382532
PNG
(CHEMBL2022248)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3CC(CCOc3c2)C(O)=O)c1
Show InChI InChI=1S/C26H26O4/c1-17-5-3-6-18(2)25(17)21-8-4-7-19(13-21)16-30-23-10-9-20-14-22(26(27)28)11-12-29-24(20)15-23/h3-10,13,15,22H,11-12,14,16H2,1-2H3,(H,27,28)
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 270n/an/an/an/an/an/an/an/a



TBA

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 membrane...

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50400237
PNG
(CHEMBL2179472)
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-/m0/s1
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 370n/an/an/an/an/an/an/an/a



TBA

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 membrane...

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50382541
PNG
(CHEMBL2022243)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCc3c2)c1
Show InChI InChI=1S/C26H26O3/c1-17-5-3-6-18(2)26(17)22-8-4-7-19(13-22)16-29-23-11-12-24-20(14-23)9-10-21(24)15-25(27)28/h3-8,11-14,21H,9-10,15-16H2,1-2H3,(H,27,28)
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 520n/an/an/an/an/an/an/an/a



TBA

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 expressed in CHO membranes ...

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50382545
PNG
(CHEMBL2022247)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C25H24O4/c1-16-5-3-6-17(2)25(16)19-8-4-7-18(11-19)14-28-21-9-10-22-20(12-24(26)27)15-29-23(22)13-21/h3-11,13,20H,12,14-15H2,1-2H3,(H,26,27)
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 1.10E+3n/an/an/an/an/an/an/an/a



TBA

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 expressed in CHO membranes ...

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50400237
PNG
(CHEMBL2179472)
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-/m0/s1
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 1.60E+3n/an/an/an/an/an/an/an/a



TBA

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 expressed in CHO membranes ...

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50382543
PNG
(CHEMBL2022245)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCCCc3c2)c1
Show InChI InChI=1S/C28H30O3/c1-19-7-5-8-20(2)28(19)24-12-6-9-21(15-24)18-31-25-13-14-26-22(16-25)10-3-4-11-23(26)17-27(29)30/h5-9,12-16,23H,3-4,10-11,17-18H2,1-2H3,(H,29,30)
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 2.40E+3n/an/an/an/an/an/an/an/a



TBA

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 membrane...

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50382542
PNG
(CHEMBL2022244)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCCc3c2)c1
Show InChI InChI=1S/C27H28O3/c1-18-6-3-7-19(2)27(18)23-11-4-8-20(14-23)17-30-24-12-13-25-21(15-24)9-5-10-22(25)16-26(28)29/h3-4,6-8,11-15,22H,5,9-10,16-17H2,1-2H3,(H,28,29)
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 3.70E+3n/an/an/an/an/an/an/an/a



TBA

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 expressed in CHO membranes ...

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50382544
PNG
(CHEMBL2022246)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3c(CC(O)=O)coc3c2)c1
Show InChI InChI=1S/C25H22O4/c1-16-5-3-6-17(2)25(16)19-8-4-7-18(11-19)14-28-21-9-10-22-20(12-24(26)27)15-29-23(22)13-21/h3-11,13,15H,12,14H2,1-2H3,(H,26,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

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 membrane...

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50382543
PNG
(CHEMBL2022245)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCCCc3c2)c1
Show InChI InChI=1S/C28H30O3/c1-19-7-5-8-20(2)28(19)24-12-6-9-21(15-24)18-31-25-13-14-26-22(16-25)10-3-4-11-23(26)17-27(29)30/h5-9,12-16,23H,3-4,10-11,17-18H2,1-2H3,(H,29,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

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 expressed in CHO membranes ...

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50382532
PNG
(CHEMBL2022248)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3CC(CCOc3c2)C(O)=O)c1
Show InChI InChI=1S/C26H26O4/c1-17-5-3-6-18(2)25(17)21-8-4-7-19(13-21)16-30-23-10-9-20-14-22(26(27)28)11-12-29-24(20)15-23/h3-10,13,15,22H,11-12,14,16H2,1-2H3,(H,27,28)
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TBA

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 expressed in CHO membranes ...

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50382544
PNG
(CHEMBL2022246)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3c(CC(O)=O)coc3c2)c1
Show InChI InChI=1S/C25H22O4/c1-16-5-3-6-17(2)25(16)19-8-4-7-18(11-19)14-28-21-9-10-22-20(12-24(26)27)15-29-23(22)13-21/h3-11,13,15H,12,14H2,1-2H3,(H,26,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

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 expressed in CHO membranes ...

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(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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n/an/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR120 expressed in CHO cells assessed as calcium influx after 30 mins by FLIPR assay

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50382542
PNG
(CHEMBL2022244)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCCc3c2)c1
Show InChI InChI=1S/C27H28O3/c1-18-6-3-7-19(2)27(18)23-11-4-8-20(14-23)17-30-24-12-13-25-21(15-24)9-5-10-22(25)16-26(28)29/h3-4,6-8,11-15,22H,5,9-10,16-17H2,1-2H3,(H,28,29)
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n/an/an/an/a 23n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium influx by FLIPR assay in presence of 0.1 % BSA

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(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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n/an/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR43 expressed in 293 cells assessed as cAMP accumulation after 30 mins by Alphascreen method

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50382543
PNG
(CHEMBL2022245)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCCCc3c2)c1
Show InChI InChI=1S/C28H30O3/c1-19-7-5-8-20(2)28(19)24-12-6-9-21(15-24)18-31-25-13-14-26-22(16-25)10-3-4-11-23(26)17-27(29)30/h5-9,12-16,23H,3-4,10-11,17-18H2,1-2H3,(H,29,30)
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n/an/an/an/a 540n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium influx by FLIPR assay in presence of 0.1 % BSA

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
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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n/an/an/an/a 14n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium influx by FLIPR assay in presence of 0.1 % BSA

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50382532
PNG
(CHEMBL2022248)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3CC(CCOc3c2)C(O)=O)c1
Show InChI InChI=1S/C26H26O4/c1-17-5-3-6-18(2)25(17)21-8-4-7-19(13-21)16-30-23-10-9-20-14-22(26(27)28)11-12-29-24(20)15-23/h3-10,13,15,22H,11-12,14,16H2,1-2H3,(H,27,28)
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n/an/an/an/a 49n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium influx by FLIPR assay in presence of 0.1 % BSA

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(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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n/an/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR41 expressed in 293 cells assessed as cAMP accumulation after 30 mins by Alphascreen method

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50382541
PNG
(CHEMBL2022243)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCc3c2)c1
Show InChI InChI=1S/C26H26O3/c1-17-5-3-6-18(2)26(17)22-8-4-7-19(13-22)16-29-23-11-12-24-20(14-23)9-10-21(24)15-25(27)28/h3-8,11-14,21H,9-10,15-16H2,1-2H3,(H,27,28)
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n/an/an/an/a 28n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium influx by FLIPR assay in presence of 0.1 % BSA

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339476
PNG
(3-{4-[(2',6'-Dimethylbiphenyl-3-yl)methoxy]-2-fluo...)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C24H23FO3/c1-16-5-3-6-17(2)24(16)20-8-4-7-18(13-20)15-28-21-11-9-19(22(25)14-21)10-12-23(26)27/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,26,27)
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n/an/an/an/a 5.70n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium influx by FLIPR assay in presence of 0.1 % BSA

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50382545
PNG
(CHEMBL2022247)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C25H24O4/c1-16-5-3-6-17(2)25(16)19-8-4-7-18(11-19)14-28-21-9-10-22-20(12-24(26)27)15-29-23(22)13-21/h3-11,13,20H,12,14-15H2,1-2H3,(H,26,27)
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n/an/an/an/a 22n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium influx by FLIPR assay in presence of 0.1 % BSA

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50382544
PNG
(CHEMBL2022246)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3c(CC(O)=O)coc3c2)c1
Show InChI InChI=1S/C25H22O4/c1-16-5-3-6-17(2)25(16)19-8-4-7-18(11-19)14-28-21-9-10-22-20(12-24(26)27)15-29-23(22)13-21/h3-11,13,15H,12,14H2,1-2H3,(H,26,27)
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n/an/an/an/a 1.70E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium influx by FLIPR assay in presence of 0.1 % BSA

ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%