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Compile Data Set for Download or QSAR

Found 1499 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))
BDBM50256703
PNG
((1R,1aS,6aR)-4-(2-Chloro-4-trifluoromethyl-phenoxy...)
Show SMILES OC(=O)[C@H]1[C@@H]2Oc3cc(Oc4ccc(cc4Cl)C(F)(F)F)ccc3[C@H]12
Show InChI InChI=1S/C17H10ClF3O4/c18-10-5-7(17(19,20)21)1-4-11(10)24-8-2-3-9-12(6-8)25-15-13(9)14(15)16(22)23/h1-6,13-15H,(H,22,23)/t13-,14-,15-/m1/s1
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n/an/an/an/a 0.100n/an/an/an/a



Piramal Life Sciences Limited

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 (unknown origin) expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 18: 6357-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.085
BindingDB Entry DOI: 10.7270/Q2FT8KWN
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50204014
PNG
(CHEMBL3944424)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CN(C2)C(C)c2cc(ccc2C(F)(F)F)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C27H29F6NO3/c1-15(25(35)36)24(18-6-7-18)19-4-3-5-21(10-19)37-14-17-12-34(13-17)16(2)22-11-20(26(28,29)30)8-9-23(22)27(31,32)33/h3-5,8-11,15-18,24H,6-7,12-14H2,1-2H3,(H,35,36)/t15-,16?,24-/m0/s1
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n/an/an/an/a 0.300n/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells coexpressing NFAT BLA assessed as increase in intracellular Ca2+ flux by fluo-4-AM dye based F...


Bioorg Med Chem Lett 26: 5603-5612 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.074
BindingDB Entry DOI: 10.7270/Q2C82C94
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50204018
PNG
(CHEMBL3923877)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(NC(=O)C(=O)Nc2cccc(c2)C(C)(C)C)cc1
Show InChI InChI=1S/C24H26N2O4/c1-5-7-17(14-21(27)28)16-10-12-19(13-11-16)25-22(29)23(30)26-20-9-6-8-18(15-20)24(2,3)4/h6,8-13,15,17H,14H2,1-4H3,(H,25,29)(H,26,30)(H,27,28)/t17-/m0/s1
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n/an/an/an/a 0.400n/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in HEK293 cells assessed as increase in intracellular Ca2+ flux by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 26: 5603-5612 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.074
BindingDB Entry DOI: 10.7270/Q2C82C94
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50010938
PNG
(CHEMBL3265149)
Show SMILES CO[C@@H](c1cc(COc2cc(ccn2)[C@@H](CC(O)=O)C2CC2)ccc1-c1cc(OC)ncc1F)C(C)(C)C
Show InChI InChI=1S/C30H35FN2O5/c1-30(2,3)29(37-5)24-12-18(6-9-21(24)23-14-26(36-4)33-16-25(23)31)17-38-27-13-20(10-11-32-27)22(15-28(34)35)19-7-8-19/h6,9-14,16,19,22,29H,7-8,15,17H2,1-5H3,(H,34,35)/t22-,29-/m0/s1
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n/an/an/an/a 0.600n/an/an/an/a


TBA

Assay Description
Agonist activity at GPR40 (unknown origin) expressed in mouse A9 cells assessed as inositol phosphate accumulation using [myo-3H]inositol after 1 hr ...


Citation and Details

Article DOI: 10.1021/ml4005123
BindingDB Entry DOI: 10.7270/Q2348MW2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50201680
PNG
(CHEMBL3922381)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)CC(F)(F)F)c2)cc1
Show InChI InChI=1S/C27H26F3NO3S/c1-2-4-24(14-26(32)33)23-7-9-25(10-8-23)34-17-21-6-3-5-20(13-21)15-31(19-27(28,29)30)16-22-11-12-35-18-22/h3,5-13,18,24H,14-17,19H2,1H3,(H,32,33)/t24-/m0/s1
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n/an/an/an/a 0.800n/an/an/an/a



Cadila Healthcare Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in HEK293 cells measured after 18 to 20 hrs by beta-gal based luciferase reporter gene assay


ACS Med Chem Lett 7: 1134-1138 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00331
BindingDB Entry DOI: 10.7270/Q2K35WN3
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210153
PNG
(CHEMBL3884803)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)[C@@H]1CCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C29H29FO4/c1-17(29(31)32)28(21-8-9-21)22-10-7-20-11-14-26(34-27(20)15-22)19-5-3-18(4-6-19)24-16-23(33-2)12-13-25(24)30/h3-7,10,12-13,15-17,21,26,28H,8-9,11,14H2,1-2H3,(H,31,32)/t17-,26-,28-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50019941
PNG
(CHEMBL3287571)
Show SMILES Cc1cc(Cl)ccc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nnnn2C)c1
Show InChI InChI=1S/C25H23ClN4O3/c1-16-12-20(26)8-11-22(16)19-5-3-4-17(13-19)15-33-21-9-6-18(7-10-21)23(14-24(31)32)25-27-28-29-30(25)2/h3-13,23H,14-15H2,1-2H3,(H,31,32)/t23-/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in mouse A9 cells by inositol phosphate accumulation assay


ACS Med Chem Lett 5: 517-21 (2014)


Article DOI: 10.1021/ml400501x
BindingDB Entry DOI: 10.7270/Q2028T3M
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50201693
PNG
(CHEMBL3904378)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(CC(C)C)Cc3ccsc3)c2)cc1
Show InChI InChI=1S/C29H33NO3S/c1-4-6-27(16-29(31)32)26-9-11-28(12-10-26)33-20-24-8-5-7-23(15-24)18-30(17-22(2)3)19-25-13-14-34-21-25/h5,7-15,21-22,27H,16-20H2,1-3H3,(H,31,32)/t27-/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



Cadila Healthcare Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in HEK293 cells measured after 18 to 20 hrs by beta-gal based luciferase reporter gene assay


ACS Med Chem Lett 7: 1134-1138 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00331
BindingDB Entry DOI: 10.7270/Q2K35WN3
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210146
PNG
(CHEMBL3883819)
Show SMILES COc1ccc(F)c(c1)-c1ccc(nc1)C1CCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C28H28FNO4/c1-16(28(31)32)27(18-4-5-18)19-6-3-17-8-12-25(34-26(17)13-19)24-11-7-20(15-30-24)22-14-21(33-2)9-10-23(22)29/h3,6-7,9-11,13-16,18,25,27H,4-5,8,12H2,1-2H3,(H,31,32)/t16-,25?,27-/m0/s1
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n/an/an/an/a 1.70n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50010921
PNG
(CHEMBL3265144)
Show SMILES COc1cc(c(F)cn1)-c1ccc(COc2cc(ccn2)[C@@H](CC(O)=O)C2CC2)cc1[C@@H]1CCCC1(C)C
Show InChI InChI=1S/C31H35FN2O4/c1-31(2)11-4-5-26(31)24-13-19(6-9-22(24)25-15-28(37-3)34-17-27(25)32)18-38-29-14-21(10-12-33-29)23(16-30(35)36)20-7-8-20/h6,9-10,12-15,17,20,23,26H,4-5,7-8,11,16,18H2,1-3H3,(H,35,36)/t23-,26-/m0/s1
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n/an/an/an/a 1.70n/an/an/an/a


TBA

Assay Description
Agonist activity at GPR40 (unknown origin) expressed in mouse A9 cells assessed as inositol phosphate accumulation using [myo-3H]inositol after 1 hr ...


Citation and Details

Article DOI: 10.1021/ml4005123
BindingDB Entry DOI: 10.7270/Q2348MW2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50201678
PNG
(CHEMBL3896509)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)Cc3ccncc3)c2)cc1
Show InChI InChI=1S/C31H30N2O3S/c1-2-4-29(18-31(34)35)28-7-9-30(10-8-28)36-22-26-6-3-5-25(17-26)20-33(21-27-13-16-37-23-27)19-24-11-14-32-15-12-24/h3,5-17,23,29H,18-22H2,1H3,(H,34,35)/t29-/m0/s1
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n/an/an/an/a 1.90n/an/an/an/a



Cadila Healthcare Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in HEK293 cells measured after 18 to 20 hrs by beta-gal based luciferase reporter gene assay


ACS Med Chem Lett 7: 1134-1138 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00331
BindingDB Entry DOI: 10.7270/Q2K35WN3
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50201656
PNG
(CHEMBL3966739)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CC3)c2)cc1
Show InChI InChI=1S/C28H29NO3S/c1-2-4-25(16-28(30)31)24-7-11-27(12-8-24)32-19-22-6-3-5-21(15-22)17-29(26-9-10-26)18-23-13-14-33-20-23/h3,5-8,11-15,20,25-26H,9-10,16-19H2,1H3,(H,30,31)/t25-/m0/s1
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n/an/an/an/a 1.90n/an/an/an/a



Cadila Healthcare Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in HEK293 cells measured after 18 to 20 hrs by beta-gal based luciferase reporter gene assay


ACS Med Chem Lett 7: 1134-1138 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00331
BindingDB Entry DOI: 10.7270/Q2K35WN3
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50386790
PNG
(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1
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 1.90n/an/an/an/a



Cadila Healthcare Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in HEK293 cells measured after 18 to 20 hrs by beta-gal based luciferase reporter gene assay


ACS Med Chem Lett 7: 1134-1138 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00331
BindingDB Entry DOI: 10.7270/Q2K35WN3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50201688
PNG
(CHEMBL3923431)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCCCC3)c2)cc1
Show InChI InChI=1S/C31H35NO3S/c1-2-7-28(19-31(33)34)27-12-14-30(15-13-27)35-22-25-9-6-8-24(18-25)20-32(21-26-16-17-36-23-26)29-10-4-3-5-11-29/h6,8-9,12-18,23,28-29H,3-5,10-11,19-22H2,1H3,(H,33,34)/t28-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Cadila Healthcare Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in HEK293 cells measured after 18 to 20 hrs by beta-gal based luciferase reporter gene assay


ACS Med Chem Lett 7: 1134-1138 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00331
BindingDB Entry DOI: 10.7270/Q2K35WN3
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM168152
PNG
(US9688642, 5)
Show SMILES CCC(C)c1nc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cnc1-c1cc(OC)ccc1F
Show InChI InChI=1S/C28H31FN2O4/c1-4-17(2)27-28(24-13-21(34-3)10-11-25(24)29)30-15-20(31-27)16-35-22-7-5-6-19(12-22)23(14-26(32)33)18-8-9-18/h5-7,10-13,15,17-18,23H,4,8-9,14,16H2,1-3H3,(H,32,33)/t17?,23-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



SRMLSC

US Patent


Assay Description
Compounds were tested in a calcium flux assay using transfected HEK293 cells stably expressing either human GPR40 or rat GPR40. Human GPR40 expressin...


US Patent US9688642 (2017)


BindingDB Entry DOI: 10.7270/Q2QV3JQX
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM168171
PNG
(US9688642, 1)
Show SMILES COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1CC(C)(C)C
Show InChI InChI=1S/C29H33FN2O4/c1-29(2,3)15-26-28(24-13-21(35-4)10-11-25(24)30)31-16-20(32-26)17-36-22-7-5-6-19(12-22)23(14-27(33)34)18-8-9-18/h5-7,10-13,16,18,23H,8-9,14-15,17H2,1-4H3,(H,33,34)/t23-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



SRMLSC

US Patent


Assay Description
Compounds were tested in a calcium flux assay using transfected HEK293 cells stably expressing either human GPR40 or rat GPR40. Human GPR40 expressin...


US Patent US9688642 (2017)


BindingDB Entry DOI: 10.7270/Q2QV3JQX
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM168191
PNG
(US9688642, 2)
Show SMILES COc1cc(c(F)cn1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1CC(C)C
Show InChI InChI=1S/C27H30FN3O4/c1-16(2)9-24-27(22-11-25(34-3)29-14-23(22)28)30-13-19(31-24)15-35-20-6-4-5-18(10-20)21(12-26(32)33)17-7-8-17/h4-6,10-11,13-14,16-17,21H,7-9,12,15H2,1-3H3,(H,32,33)/t21-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



SRMLSC

US Patent


Assay Description
Compounds were tested in a calcium flux assay using transfected HEK293 cells stably expressing either human GPR40 or rat GPR40. Human GPR40 expressin...


US Patent US9688642 (2017)


BindingDB Entry DOI: 10.7270/Q2QV3JQX
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM168170
PNG
(US9688642, 3)
Show SMILES CCCCc1nc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cnc1-c1cc(OC)ccc1F
Show InChI InChI=1S/C28H31FN2O4/c1-3-4-8-26-28(24-14-21(34-2)11-12-25(24)29)30-16-20(31-26)17-35-22-7-5-6-19(13-22)23(15-27(32)33)18-9-10-18/h5-7,11-14,16,18,23H,3-4,8-10,15,17H2,1-2H3,(H,32,33)/t23-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



SRMLSC

US Patent


Assay Description
Compounds were tested in a calcium flux assay using transfected HEK293 cells stably expressing either human GPR40 or rat GPR40. Human GPR40 expressin...


US Patent US9688642 (2017)


BindingDB Entry DOI: 10.7270/Q2QV3JQX
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50201690
PNG
(CHEMBL3889768)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)Cc3ccsc3)c2)cc1
Show InChI InChI=1S/C30H29NO3S2/c1-2-4-28(16-30(32)33)27-7-9-29(10-8-27)34-20-24-6-3-5-23(15-24)17-31(18-25-11-13-35-21-25)19-26-12-14-36-22-26/h3,5-15,21-22,28H,16-20H2,1H3,(H,32,33)/t28-/m0/s1
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n/an/an/an/a 2.10n/an/an/an/a



Cadila Healthcare Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in HEK293 cells measured after 18 to 20 hrs by beta-gal based luciferase reporter gene assay


ACS Med Chem Lett 7: 1134-1138 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00331
BindingDB Entry DOI: 10.7270/Q2K35WN3
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362690
PNG
(CHEMBL1829173)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1
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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n/an/an/an/a 2.20n/an/an/an/a



Cadila Healthcare Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in HEK293 cells measured after 18 to 20 hrs by beta-gal based luciferase reporter gene assay


ACS Med Chem Lett 7: 1134-1138 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00331
BindingDB Entry DOI: 10.7270/Q2K35WN3
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210158
PNG
(CHEMBL3883380)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)[C@H]1CCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C29H29FO4/c1-17(29(31)32)28(21-8-9-21)22-10-7-20-11-14-26(34-27(20)15-22)19-5-3-18(4-6-19)24-16-23(33-2)12-13-25(24)30/h3-7,10,12-13,15-17,21,26,28H,8-9,11,14H2,1-2H3,(H,31,32)/t17-,26+,28-/m0/s1
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n/an/an/an/a 2.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM168196
PNG
(US9688642, 47)
Show SMILES COc1cc(c(F)cn1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OCC(C)(C)C
Show InChI InChI=1S/C28H32FN3O5/c1-28(2,3)16-37-27-26(22-11-24(35-4)30-14-23(22)29)31-13-19(32-27)15-36-20-7-5-6-18(10-20)21(12-25(33)34)17-8-9-17/h5-7,10-11,13-14,17,21H,8-9,12,15-16H2,1-4H3,(H,33,34)/t21-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



SRMLSC

US Patent


Assay Description
Compounds were tested in a calcium flux assay using transfected HEK293 cells stably expressing either human GPR40 or rat GPR40. Human GPR40 expressin...


US Patent US9688642 (2017)


BindingDB Entry DOI: 10.7270/Q2QV3JQX
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210146
PNG
(CHEMBL3883819)
Show SMILES COc1ccc(F)c(c1)-c1ccc(nc1)C1CCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C28H28FNO4/c1-16(28(31)32)27(18-4-5-18)19-6-3-17-8-12-25(34-26(17)13-19)24-11-7-20(15-30-24)22-14-21(33-2)9-10-23(22)29/h3,6-7,9-11,13-16,18,25,27H,4-5,8,12H2,1-2H3,(H,31,32)/t16-,25?,27-/m0/s1
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n/an/an/an/a 3.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50010926
PNG
(CHEMBL3265147)
Show SMILES COc1cc(c(F)cn1)-c1ccc(COc2ccc3CC[C@](C)(CC(O)=O)c3c2)cc1[C@@H]1CCCC1(C)C
Show InChI InChI=1S/C32H36FNO4/c1-31(2)12-5-6-26(31)24-14-20(7-10-23(24)25-16-29(37-4)34-18-28(25)33)19-38-22-9-8-21-11-13-32(3,17-30(35)36)27(21)15-22/h7-10,14-16,18,26H,5-6,11-13,17,19H2,1-4H3,(H,35,36)/t26-,32+/m0/s1
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n/an/an/an/a 3.40n/an/an/an/a


TBA

Assay Description
Agonist activity at GPR40 (unknown origin) expressed in mouse A9 cells assessed as inositol phosphate accumulation using [myo-3H]inositol after 1 hr ...


Citation and Details

Article DOI: 10.1021/ml4005123
BindingDB Entry DOI: 10.7270/Q2348MW2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50019083
PNG
(CHEMBL3288344)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)cn2)c1
Show InChI InChI=1S/C23H23NO3/c1-16-5-3-6-17(2)23(16)20-8-4-7-19(13-20)15-27-21-11-9-18(14-24-21)10-12-22(25)26/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,25,26)
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n/an/an/an/a 3.5n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50019969
PNG
(CHEMBL3287574)
Show SMILES Cc1nc(sc1COc1ccc(cc1)[C@H](CC(O)=O)c1ccon1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H19F3N2O4S/c1-14-21(34-23(28-14)16-2-6-17(7-3-16)24(25,26)27)13-32-18-8-4-15(5-9-18)19(12-22(30)31)20-10-11-33-29-20/h2-11,19H,12-13H2,1H3,(H,30,31)/t19-/m0/s1
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n/an/an/an/a 3.60n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in mouse A9 cells by inositol phosphate accumulation assay


ACS Med Chem Lett 5: 517-21 (2014)


Article DOI: 10.1021/ml400501x
BindingDB Entry DOI: 10.7270/Q2028T3M
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50085568
PNG
(CHEMBL3427712)
Show SMILES CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3C(F)(F)F)cc1
Show InChI InChI=1S/C21H21F3O4/c1-2-27-19(12-20(25)26)13-6-8-14(9-7-13)28-18-11-10-15-16(18)4-3-5-17(15)21(22,23)24/h3-9,18-19H,2,10-12H2,1H3,(H,25,26)/t18-,19+/m1/s1
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n/an/an/an/a 3.70n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay


ACS Med Chem Lett 6: 266-70 (2015)


Article DOI: 10.1021/ml500391n
BindingDB Entry DOI: 10.7270/Q26T0PBH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50085568
PNG
(CHEMBL3427712)
Show SMILES CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3C(F)(F)F)cc1
Show InChI InChI=1S/C21H21F3O4/c1-2-27-19(12-20(25)26)13-6-8-14(9-7-13)28-18-11-10-15-16(18)4-3-5-17(15)21(22,23)24/h3-9,18-19H,2,10-12H2,1H3,(H,25,26)/t18-,19+/m1/s1
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n/an/an/an/a 3.70n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level after 60 mins by FLIPR assay


Bioorg Med Chem 23: 5546-65 (2015)


Article DOI: 10.1016/j.bmc.2015.07.028
BindingDB Entry DOI: 10.7270/Q2K0762X
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50019944
PNG
(CHEMBL3287573)
Show SMILES Cc1nc(sc1COc1ccc(cc1)[C@H](CC(O)=O)c1nnnn1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N5O3S/c1-13-19(35-22(27-13)15-3-7-16(8-4-15)23(24,25)26)12-34-17-9-5-14(6-10-17)18(11-20(32)33)21-28-29-30-31(21)2/h3-10,18H,11-12H2,1-2H3,(H,32,33)/t18-/m0/s1
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n/an/an/an/a 3.80n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in mouse A9 cells by inositol phosphate accumulation assay


ACS Med Chem Lett 5: 517-21 (2014)


Article DOI: 10.1021/ml400501x
BindingDB Entry DOI: 10.7270/Q2028T3M
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50019087
PNG
(CHEMBL3288348)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2cnc(CCC(O)=O)cn2)c1
Show InChI InChI=1S/C22H22N2O3/c1-15-5-3-6-16(2)22(15)18-8-4-7-17(11-18)14-27-20-13-23-19(12-24-20)9-10-21(25)26/h3-8,11-13H,9-10,14H2,1-2H3,(H,25,26)
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n/an/an/an/a 3.80n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50085593
PNG
(CHEMBL3427703)
Show SMILES CCO[C@@H](CC(O)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C18H18Cl2O4/c1-2-23-17(10-18(21)22)13-4-6-14(7-5-13)24-11-12-3-8-15(19)16(20)9-12/h3-9,17H,2,10-11H2,1H3,(H,21,22)/t17-/m0/s1
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n/an/an/an/a 3.90n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay


ACS Med Chem Lett 6: 266-70 (2015)


Article DOI: 10.1021/ml500391n
BindingDB Entry DOI: 10.7270/Q26T0PBH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50085593
PNG
(CHEMBL3427703)
Show SMILES CCO[C@@H](CC(O)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C18H18Cl2O4/c1-2-23-17(10-18(21)22)13-4-6-14(7-5-13)24-11-12-3-8-15(19)16(20)9-12/h3-9,17H,2,10-11H2,1H3,(H,21,22)/t17-/m0/s1
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n/an/an/an/a 3.90n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level after 60 mins by FLIPR assay


Bioorg Med Chem 23: 5546-65 (2015)


Article DOI: 10.1016/j.bmc.2015.07.028
BindingDB Entry DOI: 10.7270/Q2K0762X
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50201689
PNG
(CHEMBL3924534)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)Cc3ccccc3)c2)cc1
Show InChI InChI=1S/C32H31NO3S/c1-2-7-30(19-32(34)35)29-12-14-31(15-13-29)36-23-27-11-6-10-26(18-27)21-33(22-28-16-17-37-24-28)20-25-8-4-3-5-9-25/h3-6,8-18,24,30H,19-23H2,1H3,(H,34,35)/t30-/m0/s1
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n/an/an/an/a 4.40n/an/an/an/a



Cadila Healthcare Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in HEK293 cells measured after 18 to 20 hrs by beta-gal based luciferase reporter gene assay


ACS Med Chem Lett 7: 1134-1138 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00331
BindingDB Entry DOI: 10.7270/Q2K35WN3
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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n/an/an/an/a 4.5n/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the...


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))
BDBM50201681
PNG
(CHEMBL3951157)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCCC3)c2)cc1
Show InChI InChI=1S/C30H33NO3S/c1-2-6-27(18-30(32)33)26-11-13-29(14-12-26)34-21-24-8-5-7-23(17-24)19-31(28-9-3-4-10-28)20-25-15-16-35-22-25/h5,7-8,11-17,22,27-28H,3-4,9-10,18-21H2,1H3,(H,32,33)/t27-/m0/s1
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n/an/an/an/a 4.60n/an/an/an/a



Cadila Healthcare Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in HEK293 cells measured after 18 to 20 hrs by beta-gal based luciferase reporter gene assay


ACS Med Chem Lett 7: 1134-1138 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00331
BindingDB Entry DOI: 10.7270/Q2K35WN3
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50085569
PNG
(CHEMBL3427711)
Show SMILES CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-2-24-19(12-20(22)23)13-6-8-14(9-7-13)25-18-11-10-15-16(18)4-3-5-17(15)21/h3-9,18-19H,2,10-12H2,1H3,(H,22,23)/t18-,19+/m1/s1
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n/an/an/an/a 5n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay


ACS Med Chem Lett 6: 266-70 (2015)


Article DOI: 10.1021/ml500391n
BindingDB Entry DOI: 10.7270/Q26T0PBH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM168166
PNG
(US9688642, 6)
Show SMILES COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1N1CC2(CCC2)C1
Show InChI InChI=1S/C30H32FN3O4/c1-37-22-8-9-26(31)25(13-22)28-29(34-17-30(18-34)10-3-11-30)33-21(15-32-28)16-38-23-5-2-4-20(12-23)24(14-27(35)36)19-6-7-19/h2,4-5,8-9,12-13,15,19,24H,3,6-7,10-11,14,16-18H2,1H3,(H,35,36)/t24-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Compounds were tested in a calcium flux assay using transfected HEK293 cells stably expressing either human GPR40 or rat GPR40. Human GPR40 expressin...


US Patent US9688642 (2017)


BindingDB Entry DOI: 10.7270/Q2QV3JQX
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50085569
PNG
(CHEMBL3427711)
Show SMILES CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-2-24-19(12-20(22)23)13-6-8-14(9-7-13)25-18-11-10-15-16(18)4-3-5-17(15)21/h3-9,18-19H,2,10-12H2,1H3,(H,22,23)/t18-,19+/m1/s1
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n/an/an/an/a 5n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level after 60 mins by FLIPR assay


Bioorg Med Chem 23: 5546-65 (2015)


Article DOI: 10.1016/j.bmc.2015.07.028
BindingDB Entry DOI: 10.7270/Q2K0762X
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM168173
PNG
(US9688642, 4)
Show SMILES COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OCC(C)(C)C
Show InChI InChI=1S/C29H33FN2O5/c1-29(2,3)17-37-28-27(24-13-21(35-4)10-11-25(24)30)31-15-20(32-28)16-36-22-7-5-6-19(12-22)23(14-26(33)34)18-8-9-18/h5-7,10-13,15,18,23H,8-9,14,16-17H2,1-4H3,(H,33,34)/t23-/m0/s1
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US Patent
n/an/an/an/a 5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Compounds were tested in a calcium flux assay using transfected HEK293 cells stably expressing either human GPR40 or rat GPR40. Human GPR40 expressin...


US Patent US9688642 (2017)


BindingDB Entry DOI: 10.7270/Q2QV3JQX
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210149
PNG
(CHEMBL3884609)
Show SMILES COC(C1CC1)c1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C33H35FO5/c1-37-24-11-13-29(34)27(17-24)25-12-9-23(15-28(25)33(38-2)21-6-7-21)30-14-10-20-5-8-22(16-31(20)39-30)26(18-32(35)36)19-3-4-19/h5,8-9,11-13,15-17,19,21,26,30,33H,3-4,6-7,10,14,18H2,1-2H3,(H,35,36)/t26-,30?,33?/m0/s1
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n/an/an/an/a 5.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50085548
PNG
(CHEMBL3425533)
Show SMILES CCO[C@@H](CC(O)=O)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H19F3O4/c1-2-25-17(11-18(23)24)14-5-9-16(10-6-14)26-12-13-3-7-15(8-4-13)19(20,21)22/h3-10,17H,2,11-12H2,1H3,(H,23,24)/t17-/m0/s1
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n/an/an/an/a 5.30n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level after 60 mins by FLIPR assay


Bioorg Med Chem 23: 5546-65 (2015)


Article DOI: 10.1016/j.bmc.2015.07.028
BindingDB Entry DOI: 10.7270/Q2K0762X
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50085548
PNG
(CHEMBL3425533)
Show SMILES CCO[C@@H](CC(O)=O)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H19F3O4/c1-2-25-17(11-18(23)24)14-5-9-16(10-6-14)26-12-13-3-7-15(8-4-13)19(20,21)22/h3-10,17H,2,11-12H2,1H3,(H,23,24)/t17-/m0/s1
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n/an/an/an/a 5.30n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay


ACS Med Chem Lett 6: 266-70 (2015)


Article DOI: 10.1021/ml500391n
BindingDB Entry DOI: 10.7270/Q26T0PBH
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



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in Flp-InTM T-RexTM HEK293 cells assessed as stimulation of calcium mobilization in presence of 0.1% BSA by...


J Med Chem 55: 6624-8 (2012)


Article DOI: 10.1021/jm3002026
BindingDB Entry DOI: 10.7270/Q2P84D1H
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))
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



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...


J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


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



University of Southern Denmark

Curated by ChEMBL


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


J Med Chem 59: 4849-58 (2016)


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))
BDBM50010922
PNG
(CHEMBL3265145)
Show SMILES CC[C@H](CC(O)=O)c1ccnc(OCc2ccc(c(c2)[C@@H]2CCCC2(C)C)-c2cc(OC)ncc2F)c1
Show InChI InChI=1S/C30H35FN2O4/c1-5-20(15-29(34)35)21-10-12-32-28(14-21)37-18-19-8-9-22(24-16-27(36-4)33-17-26(24)31)23(13-19)25-7-6-11-30(25,2)3/h8-10,12-14,16-17,20,25H,5-7,11,15,18H2,1-4H3,(H,34,35)/t20-,25+/m1/s1
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n/an/an/an/a 6n/an/an/an/a


TBA

Assay Description
Agonist activity at GPR40 (unknown origin) expressed in mouse A9 cells assessed as inositol phosphate accumulation using [myo-3H]inositol after 1 hr ...


Citation and Details

Article DOI: 10.1021/ml4005123
BindingDB Entry DOI: 10.7270/Q2348MW2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


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


TBA

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


Citation and Details

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


(Homo sapiens (human))
BDBM50102727
PNG
(CHEMBL3330550)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2N=C(C(C)C2CC(O)=O)c2ccccc2)c(C)c1
Show InChI InChI=1S/C33H31FN2O3/c1-21-17-26(29-19-28(39-3)15-16-30(29)34)12-11-25(21)18-23-9-13-27(14-10-23)36-31(20-32(37)38)22(2)33(35-36)24-7-5-4-6-8-24/h4-17,19,22,31H,18,20H2,1-3H3,(H,37,38)
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n/an/an/an/a 6n/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 (unknown origin) by calcium flux assay


Bioorg Med Chem Lett 26: 5603-5612 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.074
BindingDB Entry DOI: 10.7270/Q2C82C94
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50102727
PNG
(CHEMBL3330550)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2N=C(C(C)C2CC(O)=O)c2ccccc2)c(C)c1
Show InChI InChI=1S/C33H31FN2O3/c1-21-17-26(29-19-28(39-3)15-16-30(29)34)12-11-25(21)18-23-9-13-27(14-10-23)36-31(20-32(37)38)22(2)33(35-36)24-7-5-4-6-8-24/h4-17,19,22,31H,18,20H2,1-3H3,(H,37,38)
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n/an/an/an/a 6n/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Modulation activity at human GPR40 expressed in HEK293 cells by IP-1 detection based HTRF assay


ACS Med Chem Lett 5: 954-5 (2014)


Article DOI: 10.1021/ml5002757
BindingDB Entry DOI: 10.7270/Q2NV9M1F
More data for this
Ligand-Target Pair
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