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Compile Data Set for Download or QSAR

Found 2696 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=1/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-/s2
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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 | US10059667, Example 27)
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=1/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-/s2
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n/an/an/an/a 0.300n/an/a7.425



Merck Sharp & Dohme Corp

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2348ND6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50204014
PNG
(CHEMBL3944424 | US10059667, Example 27)
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=1/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-/s2
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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=1/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-/s2
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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=1/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-/s2
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n/an/an/an/a 0.600n/an/an/an/a



Amgen Inc

Curated by ChEMBL


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 ...


ACS Med Chem Lett 5: 384-9 (2014)


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))
BDBM270333
PNG
(US10059667, Example 54)
Show SMILES CC(N1CC(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)C1)c1cc(ccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C26H27F6NO3/c1-15(21-10-19(25(27,28)29)7-8-23(21)26(30,31)32)33-12-16(13-33)14-36-20-4-2-3-18(9-20)22(11-24(34)35)17-5-6-17/h2-4,7-10,15-17,22H,5-6,11-14H2,1H3,(H,34,35)/t15?,22-/s2
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n/an/an/an/a 0.600n/an/a7.425



Merck Sharp & Dohme Corp

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2348ND6
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=1/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-/s2
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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))
BDBM270289
PNG
(US10059667, Example 10)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2(F)CN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1)C(O)=O
Show InChI InChI=1/C26H26F7NO3/c1-15(23(35)36)22(16-5-6-16)17-3-2-4-20(10-17)37-14-24(27)12-34(13-24)11-18-9-19(25(28,29)30)7-8-21(18)26(31,32)33/h2-4,7-10,15-16,22H,5-6,11-14H2,1H3,(H,35,36)/t15-,22-/s2
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n/an/an/an/a 0.900n/an/a7.425



Merck Sharp & Dohme Corp

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2348ND6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM270310
PNG
(US10059667, Example 31)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)CC2)c1)C(O)=O
Show InChI InChI=1/C28H31F6NO3/c1-17(26(36)37)25(19-5-6-19)20-3-2-4-23(14-20)38-16-18-9-11-35(12-10-18)15-21-13-22(27(29,30)31)7-8-24(21)28(32,33)34/h2-4,7-8,13-14,17-19,25H,5-6,9-12,15-16H2,1H3,(H,36,37)/t17-,25-/s2
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n/an/an/an/a 1n/an/a7.425



Merck Sharp & Dohme Corp

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2348ND6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM294020
PNG
((2S)-5-((4-(1-(1H-Tetrazol-5- yl)pent-3-yn-2- yl)p...)
Show SMILES COc1ccc(-c2csc3cnc(COc4ccc(cc4)[C@H](Cc4nnn[nH]4)C#CC)cc23)c(C)c1
Show InChI InChI=1/C28H25N5O2S/c1-4-5-20(13-28-30-32-33-31-28)19-6-8-22(9-7-19)35-16-21-14-25-26(17-36-27(25)15-29-21)24-11-10-23(34-3)12-18(24)2/h6-12,14-15,17,20H,13,16H2,1-3H3,(H,30,31,32,33)/t20-/s2
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n/an/an/an/a 1n/an/an/a25



Janssen Pharmaceutica NV

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 US10106553 (2018)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q21Z46FD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50247167
PNG
(CHEMBL4097527)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2ccc(OC(F)F)cc2)cc1
Show InChI InChI=1/C26H21F2N3O4/c1-2-3-20(14-24(32)33)18-5-9-21(10-6-18)34-16-17-4-13-23-29-25(30-31(23)15-17)19-7-11-22(12-8-19)35-26(27)28/h4-13,15,20,26H,14,16H2,1H3,(H,32,33)/t20-/s2
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n/an/an/an/a 1n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 receptor expressed in HEK293 cells assessed as increase in intracellular calcium flux after 2.5 hrs measured over 3 m...


J Med Chem 61: 934-945 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01411
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=1/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-/s2
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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=1/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-/s2
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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=1/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-/s2
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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))
BDBM270304
PNG
(US10059667, Example 25)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1)C(O)=O
Show InChI InChI=1/C26H27F6NO3/c1-15(24(34)35)23(17-5-6-17)18-3-2-4-21(10-18)36-14-16-11-33(12-16)13-19-9-20(25(27,28)29)7-8-22(19)26(30,31)32/h2-4,7-10,15-17,23H,5-6,11-14H2,1H3,(H,34,35)/t15-,23-/s2
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n/an/an/an/a 1.40n/an/a7.425



Merck Sharp & Dohme Corp

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2348ND6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM270305
PNG
(US10059667, Example 26)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OC[C@@H]2CCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1)C(O)=O
Show InChI InChI=1/C27H29F6NO3/c1-16(25(35)36)24(18-5-6-18)19-3-2-4-22(12-19)37-15-17-9-10-34(13-17)14-20-11-21(26(28,29)30)7-8-23(20)27(31,32)33/h2-4,7-8,11-12,16-18,24H,5-6,9-10,13-15H2,1H3,(H,35,36)/t16-,17+,24-/s2
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n/an/an/an/a 1.5n/an/a7.425



Merck Sharp & Dohme Corp

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2348ND6
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=1/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-/s2
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n/an/an/an/a 1.70n/an/an/an/a



Amgen Inc

Curated by ChEMBL


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 ...


ACS Med Chem Lett 5: 384-9 (2014)


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))
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=1/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-/s2
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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))
BDBM270279
PNG
((2S,3R)-3-(3-(((S)-1-(2,5-bis(trifluoromethyl)benz...)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(O[C@H]2CCCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1)C(O)=O
Show InChI InChI=1/C27H29F6NO3/c1-16(25(35)36)24(17-7-8-17)18-4-2-5-21(13-18)37-22-6-3-11-34(15-22)14-19-12-20(26(28,29)30)9-10-23(19)27(31,32)33/h2,4-5,9-10,12-13,16-17,22,24H,3,6-8,11,14-15H2,1H3,(H,35,36)/t16-,22-,24-/s2
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n/an/an/an/a 1.90n/an/a7.425



Merck Sharp & Dohme Corp

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2348ND6
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=1/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-/s2
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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))
BDBM50201656
PNG
(CHEMBL3966739)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CC3)c2)cc1
Show InChI InChI=1/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-/s2
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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))
BDBM50201678
PNG
(CHEMBL3896509)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)Cc3ccncc3)c2)cc1
Show InChI InChI=1/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-/s2
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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))
BDBM300899
PNG
(3-(4-((3-(2- Methylphenyl)benzo[b]thiophen- 5-yl)m...)
Show SMILES CC#CC(CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccccc4C)c3c2)cc1
Show InChI InChI=1/C28H24O3S/c1-3-6-22(16-28(29)30)21-10-12-23(13-11-21)31-17-20-9-14-27-25(15-20)26(18-32-27)24-8-5-4-7-19(24)2/h4-5,7-15,18,22H,16-17H2,1-2H3,(H,29,30)
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Janssen Pharmaceutica NV

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 US9790198 (2017)


Article DOI: 10.1074/jbc.M501100200
BindingDB Entry DOI: 10.7270/Q27083J7
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=1/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-/s2
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Janssen Pharmaceutica NV

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))
BDBM375121
PNG
(US10253004, Example 35)
Show SMILES Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)-c1nnn(C)n1
Show InChI InChI=1/C27H26FN7O2/c1-13-8-15(26-32-34-35(3)33-26)9-14(2)24(13)16-4-6-20(28)25-17(16)5-7-21(25)31-23-12-29-22(11-30-23)18-10-19(18)27(36)37/h4,6,8-9,11-12,18-19,21H,5,7,10H2,1-3H3,(H,30,31)(H,36,37)/t18-,19-,21+/s2
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n/an/an/an/a 2n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM300817
PNG
((3S)-3-(4-((3-(2-Methyl-4- ((tetrahydro-2H-pyran-4...)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OC5CCOCC5)cc4C)c3c2)cc1
Show InChI InChI=1/C33H32O5S/c1-3-4-25(19-33(34)35)24-6-8-26(9-7-24)37-20-23-5-12-32-30(18-23)31(21-39-32)29-11-10-28(17-22(29)2)38-27-13-15-36-16-14-27/h5-12,17-18,21,25,27H,13-16,19-20H2,1-2H3,(H,34,35)/t25-/s2
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Janssen Pharmaceutica NV

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 US9790198 (2017)


Article DOI: 10.1074/jbc.M501100200
BindingDB Entry DOI: 10.7270/Q27083J7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM300817
PNG
((3S)-3-(4-((3-(2-Methyl-4- ((tetrahydro-2H-pyran-4...)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OC5CCOCC5)cc4C)c3c2)cc1
Show InChI InChI=1/C33H32O5S/c1-3-4-25(19-33(34)35)24-6-8-26(9-7-24)37-20-23-5-12-32-30(18-23)31(21-39-32)29-11-10-28(17-22(29)2)38-27-13-15-36-16-14-27/h5-12,17-18,21,25,27H,13-16,19-20H2,1-2H3,(H,34,35)/t25-/s2
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Janssen Pharmaceutica NV

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 US10195178 (2019)


Article DOI: 10.1021/jm060519r
BindingDB Entry DOI: 10.7270/Q2CR5WGJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM300899
PNG
(3-(4-((3-(2- Methylphenyl)benzo[b]thiophen- 5-yl)m...)
Show SMILES CC#CC(CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccccc4C)c3c2)cc1
Show InChI InChI=1/C28H24O3S/c1-3-6-22(16-28(29)30)21-10-12-23(13-11-21)31-17-20-9-14-27-25(15-20)26(18-32-27)24-8-5-4-7-19(24)2/h4-5,7-15,18,22H,16-17H2,1-2H3,(H,29,30)
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Janssen Pharmaceutica NV

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 US10131648 (2018)


Article DOI: 10.1016/j.bmcl.2005.08.017
BindingDB Entry DOI: 10.7270/Q22F7QHS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM298470
PNG
(US10125101, Example 20)
Show SMILES Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O)-c1nnn(CC(C)(C)O)n1
Show InChI InChI=1/C31H33FN6O3/c1-16-11-18(29-35-37-38(36-29)15-31(3,4)41)12-17(2)27(16)20-6-8-24(32)28-21(20)7-10-26(28)34-19-5-9-25(33-14-19)22-13-23(22)30(39)40/h5-6,8-9,11-12,14,22-23,26,34,41H,7,10,13,15H2,1-4H3,(H,39,40)/t22-,23-,26+/s2
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10125101 (2018)


Article DOI: 10.1021/jm058276a
BindingDB Entry DOI: 10.7270/Q2T43W5K
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM298471
PNG
(US10125101, Example 21)
Show SMILES Cc1cnc(nc1)-c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C31H29FN4O2/c1-16-13-34-30(35-14-16)19-10-17(2)28(18(3)11-19)21-5-7-25(32)29-22(21)6-9-27(29)36-20-4-8-26(33-15-20)23-12-24(23)31(37)38/h4-5,7-8,10-11,13-15,23-24,27,36H,6,9,12H2,1-3H3,(H,37,38)/t23-,24-,27+/s2
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10125101 (2018)


Article DOI: 10.1021/jm058276a
BindingDB Entry DOI: 10.7270/Q2T43W5K
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM300817
PNG
((3S)-3-(4-((3-(2-Methyl-4- ((tetrahydro-2H-pyran-4...)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OC5CCOCC5)cc4C)c3c2)cc1
Show InChI InChI=1/C33H32O5S/c1-3-4-25(19-33(34)35)24-6-8-26(9-7-24)37-20-23-5-12-32-30(18-23)31(21-39-32)29-11-10-28(17-22(29)2)38-27-13-15-36-16-14-27/h5-12,17-18,21,25,27H,13-16,19-20H2,1-2H3,(H,34,35)/t25-/s2
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Janssen Pharmaceutica NV

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 US10131648 (2018)


Article DOI: 10.1016/j.bmcl.2005.08.017
BindingDB Entry DOI: 10.7270/Q22F7QHS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50247166
PNG
(CHEMBL4082711)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2ccc(cc2)C(C)C)cc1
Show InChI InChI=1/C28H27N3O3/c1-4-5-24(16-27(32)33)22-11-13-25(14-12-22)34-18-20-6-15-26-29-28(30-31(26)17-20)23-9-7-21(8-10-23)19(2)3/h6-15,17,19,24H,16,18H2,1-3H3,(H,32,33)/t24-/s2
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 receptor expressed in HEK293 cells assessed as increase in intracellular calcium flux after 2.5 hrs measured over 3 m...


J Med Chem 61: 934-945 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01411
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=1/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-/s2
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Janssen Pharmaceutica NV

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=1/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-/s2
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Janssen Pharmaceutica NV

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))
BDBM293969
PNG
((2S)-5-(2-(4-((3-(2- Methylphenyl)benzo[b]thiophen...)
Show SMILES CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccccc4C)c3c2)cc1
Show InChI InChI=1/C28H24N4OS/c1-3-6-22(16-28-29-31-32-30-28)21-10-12-23(13-11-21)33-17-20-9-14-27-25(15-20)26(18-34-27)24-8-5-4-7-19(24)2/h4-5,7-15,18,22H,16-17H2,1-2H3,(H,29,30,31,32)/t22-/s2
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Janssen Pharmaceutica NV

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 US10106553 (2018)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q21Z46FD
More data for this
Ligand-Target Pair
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=1/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-/s2
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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))
BDBM270286
PNG
(US10059667, Example 7)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(O[C@@H]2CCCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1)C(O)=O
Show InChI InChI=1/C27H29F6NO3/c1-16(25(35)36)24(17-7-8-17)18-4-2-5-21(13-18)37-22-6-3-11-34(15-22)14-19-12-20(26(28,29)30)9-10-23(19)27(31,32)33/h2,4-5,9-10,12-13,16-17,22,24H,3,6-8,11,14-15H2,1H3,(H,35,36)/t16-,22+,24-/s2
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Merck Sharp & Dohme Corp

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2348ND6
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=1/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-/s2
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Janssen Pharmaceutica NV

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=1/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-/s2
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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=1/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-/s2
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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=1/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-/s2
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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))
BDBM50204012
PNG
(CHEMBL3955132)
Show SMILES COc1cccc2CCCN(Cc3ccc(COc4ccc(cc4)[C@H](CC(O)=O)C#CC)s3)c12
Show InChI InChI=1/C28H29NO4S/c1-3-6-22(17-27(30)31)20-10-12-23(13-11-20)33-19-25-15-14-24(34-25)18-29-16-5-8-21-7-4-9-26(32-2)28(21)29/h4,7,9-15,22H,5,8,16-19H2,1-2H3,(H,30,31)/t22-/s2
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n/an/an/an/a 3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 receptor expressed in HEK293 cells assessed as increase in intracellular calcium flux after 2.5 hrs measured over 3 m...


J Med Chem 61: 934-945 (2018)


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


(Homo sapiens (Human))
BDBM375092
PNG
((1S,2S)-2-(5-{(R)-4-[2,6-Dimethyl-4-(2-methyl-2H-t...)
Show SMILES Cc1cc(cc(C)c1-c1cccc2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)-c1nnn(C)n1
Show InChI InChI=1/C27H27N7O2/c1-14-9-16(26-31-33-34(3)32-26)10-15(2)25(14)19-6-4-5-18-17(19)7-8-22(18)30-24-13-28-23(12-29-24)20-11-21(20)27(35)36/h4-6,9-10,12-13,20-22H,7-8,11H2,1-3H3,(H,29,30)(H,35,36)/t20-,21-,22+/s2
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n/an/an/an/a 3n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

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=1/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-/s2
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n/an/an/an/a 3n/an/an/a25



Janssen Pharmaceutica NV

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))
BDBM294019
PNG
((2S)-5-((4-(1-(1H-Tetrazol-5- yl)pent-3-yn-2- yl)p...)
Show SMILES CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc3c(csc3cn2)-c2ccccc2C)cc1
Show InChI InChI=1/C27H23N5OS/c1-3-6-20(13-27-29-31-32-30-27)19-9-11-22(12-10-19)33-16-21-14-24-25(17-34-26(24)15-28-21)23-8-5-4-7-18(23)2/h4-5,7-12,14-15,17,20H,13,16H2,1-2H3,(H,29,30,31,32)/t20-/s2
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Janssen Pharmaceutica NV

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 US10106553 (2018)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q21Z46FD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM300806
PNG
((3S)-3-[4-[[3-[2-Methyl-4-(3- methylsulfonylpropox...)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OCCCS(C)(=O)=O)cc4C)c3c2)cc1
Show InChI InChI=1/C32H32O6S2/c1-4-6-25(19-32(33)34)24-8-10-26(11-9-24)38-20-23-7-14-31-29(18-23)30(21-39-31)28-13-12-27(17-22(28)2)37-15-5-16-40(3,35)36/h7-14,17-18,21,25H,5,15-16,19-20H2,1-3H3,(H,33,34)/t25-/s2
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Janssen Pharmaceutica NV

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 US10131648 (2018)


Article DOI: 10.1016/j.bmcl.2005.08.017
BindingDB Entry DOI: 10.7270/Q22F7QHS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM298480
PNG
(US10125101, Example 30)
Show SMILES Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O)-c1nnn(C)n1
Show InChI InChI=1/C28H27FN6O2/c1-14-10-16(27-32-34-35(3)33-27)11-15(2)25(14)18-5-7-22(29)26-19(18)6-9-24(26)31-17-4-8-23(30-13-17)20-12-21(20)28(36)37/h4-5,7-8,10-11,13,20-21,24,31H,6,9,12H2,1-3H3,(H,36,37)/t20-,21-,24+/s2
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10125101 (2018)


Article DOI: 10.1021/jm058276a
BindingDB Entry DOI: 10.7270/Q2T43W5K
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM298456
PNG
((1S,2S)-2-(5-{(R)-4-[2,6-Dimethyl-4-(2-methyl-2H-t...)
Show SMILES Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O)-c1nnn(C)n1
Show InChI InChI=1/C28H27FN6O2/c1-14-10-16(27-32-34-35(3)33-27)11-15(2)25(14)18-5-7-22(29)26-19(18)6-9-24(26)31-17-4-8-23(30-13-17)20-12-21(20)28(36)37/h4-5,7-8,10-11,13,20-21,24,31H,6,9,12H2,1-3H3,(H,36,37)/t20-,21-,24+/s2
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10125101 (2018)


Article DOI: 10.1021/jm058276a
BindingDB Entry DOI: 10.7270/Q2T43W5K
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM301725
PNG
(US9597310, 15 | [(S)-6-{(R)-7-Fluoro-4-[4-(2-methy...)
Show SMILES Cn1nnc(n1)-c1ccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)cc1
Show InChI InChI=1/C27H23FN4O5/c1-32-30-27(29-31-32)15-2-4-17(5-3-15)36-22-11-9-21(28)26-20(22)8-10-23(26)37-18-6-7-19-16(12-25(33)34)14-35-24(19)13-18/h2-7,9,11,13,16,23H,8,10,12,14H2,1H3,(H,33,34)/t16-,23-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay system 1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US9597310 (2017)


Article DOI: 10.1021/jm0301078
BindingDB Entry DOI: 10.7270/Q2RX9F3W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM300907
PNG
((2S,3R)-3-cyclopropyl-3-((RS)-2-(5′-fluoro-2...)
Show SMILES COc1cc(c(F)cn1)-c1ccc(nc1)C1CCCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1
Show InChI InChI=1/C28H29FN2O4/c1-16(28(32)33)27(18-7-8-18)19-9-6-17-4-3-5-24(35-25(17)12-19)23-11-10-20(14-30-23)21-13-26(34-2)31-15-22(21)29/h6,9-16,18,24,27H,3-5,7-8H2,1-2H3,(H,32,33)/t16-,24?,27-/s2
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n/an/an/an/a 3n/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
The assay is performed in 384-well format. HEK cells stably expressing human GPR40 are plated at 15,000 cells per well in growth medium (DMEM/10% fet...


US Patent US10131651 (2018)


Article DOI: 10.1016/j.bmcl.2005.12.095
BindingDB Entry DOI: 10.7270/Q2XP770F
More data for this
Ligand-Target Pair
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