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Compile Data Set for Download or QSAR

Found 119 hits Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 3'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50044849
PNG
(CHEMBL3311308)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3
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n/an/a<3.16E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR41 expressed in U2OS cells by brilliant black FLIPR/summary (Abse5) assay


Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
BindingDB Entry DOI: 10.7270/Q2CC1292
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Mus musculus)
BDBM50044849
PNG
(CHEMBL3311308)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3
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n/an/an/an/a<3.16E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity against mouse GPR41 expressed in U2OS cells by brilliant black FLIPR/summary (Abse5) assay


Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
BindingDB Entry DOI: 10.7270/Q2CC1292
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50044849
PNG
(CHEMBL3311308)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3
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n/an/an/an/a<3.16E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR


Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
BindingDB Entry DOI: 10.7270/Q2CC1292
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Mus musculus)
BDBM50044849
PNG
(CHEMBL3311308)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3
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n/an/an/an/a<3.16E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at mouse FFA3 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR


Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
BindingDB Entry DOI: 10.7270/Q2CC1292
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50044849
PNG
(CHEMBL3311308)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3
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n/an/an/an/a<5.01E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity against human GPR41 expressed in U2OS cells by BacMam FLIPR/summary (Abse5) assay


Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
BindingDB Entry DOI: 10.7270/Q2CC1292
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Mus musculus)
BDBM50044849
PNG
(CHEMBL3311308)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3
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n/an/an/an/a<5.01E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity against mouse GPR41 expressed in U2OS cells by BacMam FLIPR/summary (Abse5) assay


Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
BindingDB Entry DOI: 10.7270/Q2CC1292
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50107314
PNG
(CHEMBL3600993)
Show SMILES Cc1oc(nc1COc1ccc(CCC(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C20H19NO4/c1-14-18(21-20(25-14)16-5-3-2-4-6-16)13-24-17-10-7-15(8-11-17)9-12-19(22)23/h2-8,10-11H,9,12-13H2,1H3,(H,22,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Enamine Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GPR41 (unknown origin) expressed in CHO cells by FLIPR calcium flux assay in presence of 0.1% bovine serum albumin


Bioorg Med Chem Lett 25: 3105-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.018
BindingDB Entry DOI: 10.7270/Q26D5VS5
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50107305
PNG
(CHEMBL3601001)
Show SMILES Cc1ccc(cc1)-c1noc(COc2ccc(CCC(O)=O)cc2)n1
Show InChI InChI=1S/C19H18N2O4/c1-13-2-7-15(8-3-13)19-20-17(25-21-19)12-24-16-9-4-14(5-10-16)6-11-18(22)23/h2-5,7-10H,6,11-12H2,1H3,(H,22,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Enamine Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GPR41 (unknown origin) expressed in CHO cells by FLIPR calcium flux assay in presence of 0.1% bovine serum albumin


Bioorg Med Chem Lett 25: 3105-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.018
BindingDB Entry DOI: 10.7270/Q26D5VS5
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50107303
PNG
(CHEMBL3601003)
Show SMILES OC(=O)CCc1ccc(OCc2nc(no2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O4/c19-14-6-4-13(5-7-14)18-20-16(25-21-18)11-24-15-8-1-12(2-9-15)3-10-17(22)23/h1-2,4-9H,3,10-11H2,(H,22,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Enamine Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GPR41 (unknown origin) expressed in CHO cells by FLIPR calcium flux assay in presence of 0.1% bovine serum albumin


Bioorg Med Chem Lett 25: 3105-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.018
BindingDB Entry DOI: 10.7270/Q26D5VS5
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50171873
PNG
(CHEMBL3805952)
Show SMILES OC(=O)CCc1ccc(OCc2nnc(s2)C(=O)Nc2ccc(F)c(F)c2)cc1
Show InChI InChI=1S/C19H15F2N3O4S/c20-14-7-4-12(9-15(14)21)22-18(27)19-24-23-16(29-19)10-28-13-5-1-11(2-6-13)3-8-17(25)26/h1-2,4-7,9H,3,8,10H2,(H,22,27)(H,25,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR41 (unknown origin) expressed in CHO cells by calcium influx assay


Bioorg Med Chem 24: 2954-2963 (2016)


Article DOI: 10.1016/j.bmc.2016.04.065
BindingDB Entry DOI: 10.7270/Q2SB47PK
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50171865
PNG
(CHEMBL3805888)
Show SMILES OC(=O)CCc1ccc(OCc2nnc(s2)C(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C19H16FN3O4S/c20-14-3-1-2-4-15(14)21-18(26)19-23-22-16(28-19)11-27-13-8-5-12(6-9-13)7-10-17(24)25/h1-6,8-9H,7,10-11H2,(H,21,26)(H,24,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR41 (unknown origin) expressed in CHO cells by calcium influx assay


Bioorg Med Chem 24: 2954-2963 (2016)


Article DOI: 10.1016/j.bmc.2016.04.065
BindingDB Entry DOI: 10.7270/Q2SB47PK
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50171870
PNG
(CHEMBL3805879)
Show SMILES OC(=O)CCc1nnc(s1)C(=O)Nc1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H14FN3O3S/c19-13-6-4-11(5-7-13)12-2-1-3-14(10-12)20-17(25)18-22-21-15(26-18)8-9-16(23)24/h1-7,10H,8-9H2,(H,20,25)(H,23,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR41 (unknown origin) expressed in CHO cells by calcium influx assay


Bioorg Med Chem 24: 2954-2963 (2016)


Article DOI: 10.1016/j.bmc.2016.04.065
BindingDB Entry DOI: 10.7270/Q2SB47PK
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50171872
PNG
(CHEMBL3805328)
Show SMILES Cc1cccc(c1)-c1cccc(NC(=O)c2nnc(CCC(O)=O)s2)c1
Show InChI InChI=1S/C19H17N3O3S/c1-12-4-2-5-13(10-12)14-6-3-7-15(11-14)20-18(25)19-22-21-16(26-19)8-9-17(23)24/h2-7,10-11H,8-9H2,1H3,(H,20,25)(H,23,24)
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Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR41 (unknown origin) expressed in CHO cells by calcium influx assay


Bioorg Med Chem 24: 2954-2963 (2016)


Article DOI: 10.1016/j.bmc.2016.04.065
BindingDB Entry DOI: 10.7270/Q2SB47PK
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50079401
PNG
(CHEMBL62381 | Sodium butyrate | Sodium; butyrate |...)
Show SMILES CCCC([O-])=O
Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1
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n/an/an/an/a 1.01E+4n/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Agonist activity at GPR41 (unknown origin) by Fluo-4 AM dye based calcium mobilization assay


ACS Med Chem Lett 7: 579-83 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00025
BindingDB Entry DOI: 10.7270/Q2HH6N11
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(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>1.00E+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 3


(Homo sapiens (Human))
BDBM50200339
PNG
(CHEMBL3941821)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccc(F)cc3)CCO4)cc2)cc1
Show InChI InChI=1S/C33H38FNO4.ClH/c34-30-10-5-26(6-11-30)21-29-15-20-39-33(22-29)16-18-35(19-17-33)23-27-1-3-28(4-2-27)24-38-31-12-7-25(8-13-31)9-14-32(36)37;/h1-8,10-13,29H,9,14-24H2,(H,36,37);1H
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Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay


Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50200350
PNG
(CHEMBL3926143)
Show SMILES Cl.Cc1ccc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)cc1
Show InChI InChI=1S/C34H41NO4.ClH/c1-26-2-4-28(5-3-26)22-31-16-21-39-34(23-31)17-19-35(20-18-34)24-29-6-8-30(9-7-29)25-38-32-13-10-27(11-14-32)12-15-33(36)37;/h2-11,13-14,31H,12,15-25H2,1H3,(H,36,37);1H
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Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay


Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50200342
PNG
(CHEMBL3893207)
Show SMILES Cl.COc1ccc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)cc1
Show InChI InChI=1S/C34H41NO5.ClH/c1-38-31-11-8-27(9-12-31)22-30-16-21-40-34(23-30)17-19-35(20-18-34)24-28-2-4-29(5-3-28)25-39-32-13-6-26(7-14-32)10-15-33(36)37;/h2-9,11-14,30H,10,15-25H2,1H3,(H,36,37);1H
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Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay


Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50200363
PNG
(CHEMBL3963542)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccccc3)CCO4)cc2)cc1
Show InChI InChI=1S/C33H39NO4.ClH/c35-32(36)15-12-26-10-13-31(14-11-26)37-25-29-8-6-28(7-9-29)24-34-19-17-33(18-20-34)23-30(16-21-38-33)22-27-4-2-1-3-5-27;/h1-11,13-14,30H,12,15-25H2,(H,35,36);1H
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Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay


Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50232522
PNG
(CHEMBL4065397)
Show SMILES COc1ccc(cc1COc1ccc(CCC(O)=O)cc1C)C(F)(F)F
Show InChI InChI=1S/C19H19F3O4/c1-12-9-13(4-8-18(23)24)3-6-16(12)26-11-14-10-15(19(20,21)22)5-7-17(14)25-2/h3,5-7,9-10H,4,8,11H2,1-2H3,(H,23,24)
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n/an/an/an/a>5.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor by FLIPR assay


Bioorg Med Chem Lett 27: 1278-1283 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.034
BindingDB Entry DOI: 10.7270/Q2ZK5JWB
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50230295
PNG
(CHEMBL4098843)
Show SMILES Cl.Cl.Cc1cccc(OCCC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)n1
Show InChI InChI=1S/C34H42N2O5.2ClH/c1-26-3-2-4-32(35-26)39-21-15-28-16-22-41-34(23-28)17-19-36(20-18-34)24-29-5-7-30(8-6-29)25-40-31-12-9-27(10-13-31)11-14-33(37)38;;/h2-10,12-13,28H,11,14-25H2,1H3,(H,37,38);2*1H
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n/an/an/an/a>1.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor expressed in CHO cells assessed as increase in intracellular calcium flux by Fluo-8 dye based FLIPR assay


Eur J Med Chem 127: 357-368 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.005
BindingDB Entry DOI: 10.7270/Q2DZ0BJ9
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM26109
PNG
(Butyrate | butanoic acid | butanoic acid, 4)
Show SMILES CCCC(O)=O
Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
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n/an/an/an/a 1.20E+4n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human GPCR41 transfected in HEK293 cells assessed as [35S]GTPgammaS binding by scintillation counting method


J Med Chem 61: 47-61 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00244
BindingDB Entry DOI: 10.7270/Q2JD507R
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50074329
PNG
(CH3-COOH | CHEMBL539 | Essigsaeure | Ethylic acid ...)
Show SMILES CC(O)=O
Show InChI InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
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n/an/an/an/a 1.20E+4n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human GPCR41 transfected in HEK293 cells assessed as [35S]GTPgammaS binding by scintillation counting method


J Med Chem 61: 47-61 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00244
BindingDB Entry DOI: 10.7270/Q2JD507R
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50082199
PNG
(CH3-CH2-COOH | CHEMBL14021 | Propionsaeure | acide...)
Show SMILES CCC(O)=O
Show InChI InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
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n/an/an/an/a 1.20E+4n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human GPCR41 transfected in HEK293 cells assessed as [35S]GTPgammaS binding by scintillation counting method


J Med Chem 61: 47-61 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00244
BindingDB Entry DOI: 10.7270/Q2JD507R
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527466
PNG
(CHEMBL4570341)
Show SMILES CC1=C(C(c2cccs2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C22H22N2O2S/c1-13-7-3-4-8-15(13)24-22(26)19-14(2)23-16-9-5-10-17(25)20(16)21(19)18-11-6-12-27-18/h3-4,6-8,11-12,21,23H,5,9-10H2,1-2H3,(H,24,26)
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527475
PNG
(CHEMBL4470184)
Show SMILES CC(C)CC1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2
Show InChI InChI=1S/C22H28N2O2/c1-13(2)12-16-20(22(26)24-17-9-6-5-8-14(17)3)15(4)23-18-10-7-11-19(25)21(16)18/h5-6,8-9,13,16,23H,7,10-12H2,1-4H3,(H,24,26)
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n/an/an/an/a 525n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527481
PNG
(CHEMBL4560915)
Show SMILES CC(C)CC1C(C#N)=C(C)NC(C)=C1C(=O)Nc1ccccc1C
Show InChI InChI=1S/C20H25N3O/c1-12(2)10-16-17(11-21)14(4)22-15(5)19(16)20(24)23-18-9-7-6-8-13(18)3/h6-9,12,16,22H,10H2,1-5H3,(H,23,24)
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n/an/an/an/a 380n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527493
PNG
(CHEMBL4457531)
Show SMILES CCCC1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2
Show InChI InChI=1S/C21H26N2O2/c1-4-8-15-19(21(25)23-16-10-6-5-9-13(16)2)14(3)22-17-11-7-12-18(24)20(15)17/h5-6,9-10,15,22H,4,7-8,11-12H2,1-3H3,(H,23,25)
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n/an/an/an/a 692n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527484
PNG
(CHEMBL4584743)
Show SMILES CCCCC1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2
Show InChI InChI=1S/C22H28N2O2/c1-4-5-10-16-20(22(26)24-17-11-7-6-9-14(17)2)15(3)23-18-12-8-13-19(25)21(16)18/h6-7,9,11,16,23H,4-5,8,10,12-13H2,1-3H3,(H,24,26)
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n/an/an/an/a 263n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527494
PNG
(CHEMBL4443269)
Show SMILES CC1=C(C(\C=C\c2ccccc2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C26H26N2O2/c1-17-9-6-7-12-21(17)28-26(30)24-18(2)27-22-13-8-14-23(29)25(22)20(24)16-15-19-10-4-3-5-11-19/h3-7,9-12,15-16,20,27H,8,13-14H2,1-2H3,(H,28,30)/b16-15+
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n/an/an/an/a 724n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Rattus norvegicus)
BDBM50527469
PNG
(CHEMBL4448591)
Show SMILES CC1=C(C(c2ccco2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C22H22N2O3/c1-13-7-3-4-8-15(13)24-22(26)19-14(2)23-16-9-5-10-17(25)20(16)21(19)18-11-6-12-27-18/h3-4,6-8,11-12,21,23H,5,9-10H2,1-2H3,(H,24,26)
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n/an/an/an/a 1.35E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat FFA3 receptor


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527478
PNG
(CHEMBL4569482)
Show SMILES CC1=C(C(c2ccoc2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C22H22N2O3/c1-13-6-3-4-7-16(13)24-22(26)19-14(2)23-17-8-5-9-18(25)21(17)20(19)15-10-11-27-12-15/h3-4,6-7,10-12,20,23H,5,8-9H2,1-2H3,(H,24,26)
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n/an/an/an/a 5.75E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell membrane assessed as stimulation of [35S]-GTPgammaS binding meas...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527495
PNG
(CHEMBL4451216)
Show SMILES CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(C)cc1)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C25H26N2O2/c1-15-11-13-18(14-12-15)23-22(25(29)27-19-8-5-4-7-16(19)2)17(3)26-20-9-6-10-21(28)24(20)23/h4-5,7-8,11-14,23,26H,6,9-10H2,1-3H3,(H,27,29)
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n/an/an/an/a 3.02E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell membrane assessed as stimulation of [35S]-GTPgammaS binding meas...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527463
PNG
(CHEMBL4545039)
Show SMILES CC1=C(C(c2ccco2)C2=C(CCCC2=O)N1)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C22H22N2O3/c1-13-8-10-15(11-9-13)24-22(26)19-14(2)23-16-5-3-6-17(25)20(16)21(19)18-7-4-12-27-18/h4,7-12,21,23H,3,5-6H2,1-2H3,(H,24,26)
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n/an/an/an/a 5.37E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell membrane assessed as stimulation of [35S]-GTPgammaS binding meas...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527496
PNG
(CHEMBL4560771)
Show SMILES CC(C)CC1C(C(=O)Nc2ccccc2I)=C(C)NC2=C1C(=O)CCC2
Show InChI InChI=1S/C21H25IN2O2/c1-12(2)11-14-19(21(26)24-16-8-5-4-7-15(16)22)13(3)23-17-9-6-10-18(25)20(14)17/h4-5,7-8,12,14,23H,6,9-11H2,1-3H3,(H,24,26)
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n/an/an/an/a 3.89E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell membrane assessed as stimulation of [35S]-GTPgammaS binding meas...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527497
PNG
(CHEMBL4516837)
Show SMILES CC1(CC1)C(O)=O
Show InChI InChI=1S/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)
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n/an/an/an/a 1.32E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell membrane assessed as stimulation of [35S]-GTPgammaS binding meas...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527495
PNG
(CHEMBL4451216)
Show SMILES CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(C)cc1)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C25H26N2O2/c1-15-11-13-18(14-12-15)23-22(25(29)27-19-8-5-4-7-16(19)2)17(3)26-20-9-6-10-21(28)24(20)23/h4-5,7-8,11-14,23,26H,6,9-10H2,1-3H3,(H,27,29)
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n/an/an/an/a 3.63E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527474
PNG
(CHEMBL4567192)
Show SMILES COc1ccccc1NC(=O)C1=C(C)NC2=C(C1c1ccco1)C(=O)CCC2
Show InChI InChI=1S/C22H22N2O4/c1-13-19(22(26)24-14-7-3-4-10-17(14)27-2)21(18-11-6-12-28-18)20-15(23-13)8-5-9-16(20)25/h3-4,6-7,10-12,21,23H,5,8-9H2,1-2H3,(H,24,26)
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n/an/an/an/a 372n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527496
PNG
(CHEMBL4560771)
Show SMILES CC(C)CC1C(C(=O)Nc2ccccc2I)=C(C)NC2=C1C(=O)CCC2
Show InChI InChI=1S/C21H25IN2O2/c1-12(2)11-14-19(21(26)24-16-8-5-4-7-15(16)22)13(3)23-17-9-6-10-18(25)20(14)17/h4-5,7-8,12,14,23H,6,9-11H2,1-3H3,(H,24,26)
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n/an/an/an/a 6.76E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527498
PNG
(CHEMBL4473184)
Show SMILES CCC1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2
Show InChI InChI=1S/C20H24N2O2/c1-4-14-18(20(24)22-15-9-6-5-8-12(15)2)13(3)21-16-10-7-11-17(23)19(14)16/h5-6,8-9,14,21H,4,7,10-11H2,1-3H3,(H,22,24)
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n/an/an/an/a 4.17E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527494
PNG
(CHEMBL4443269)
Show SMILES CC1=C(C(\C=C\c2ccccc2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C26H26N2O2/c1-17-9-6-7-12-21(17)28-26(30)24-18(2)27-22-13-8-14-23(29)25(22)20(24)16-15-19-10-4-3-5-11-19/h3-7,9-12,15-16,20,27H,8,13-14H2,1-2H3,(H,28,30)/b16-15+
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n/an/an/an/a 4.57E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527499
PNG
(CHEMBL4547569)
Show SMILES CC1=C(C(c2ccc(Br)o2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C22H21BrN2O3/c1-12-6-3-4-7-14(12)25-22(27)19-13(2)24-15-8-5-9-16(26)20(15)21(19)17-10-11-18(23)28-17/h3-4,6-7,10-11,21,24H,5,8-9H2,1-2H3,(H,25,27)
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n/an/an/an/a 245n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527500
PNG
(CHEMBL4470404)
Show SMILES CC1=C(C(c2cncs2)C2=C(CCCC2=O)N1)C(=O)Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C20H17Cl2N3O2S/c1-10-17(20(27)25-14-7-11(21)5-6-12(14)22)19(16-8-23-9-28-16)18-13(24-10)3-2-4-15(18)26/h5-9,19,24H,2-4H2,1H3,(H,25,27)
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UniChem
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n/an/an/an/a 1.78E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527501
PNG
(CHEMBL4442868)
Show SMILES CC1=C(C(C2CC2)C2=C(CCCC2=O)N1)C(=O)Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C20H20Cl2N2O2/c1-10-17(20(26)24-15-9-12(21)7-8-13(15)22)18(11-5-6-11)19-14(23-10)3-2-4-16(19)25/h7-9,11,18,23H,2-6H2,1H3,(H,24,26)
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n/an/an/an/a 251n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50082199
PNG
(CH3-CH2-COOH | CHEMBL14021 | Propionsaeure | acide...)
Show SMILES CCC(O)=O
Show InChI InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
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n/an/an/an/a 1.17E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527502
PNG
(CHEMBL4515057)
Show SMILES COC(=O)C1=C(C)NC(C)=C(C1CC(C)C)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C21H28N2O3/c1-12(2)11-16-18(14(4)22-15(5)19(16)21(25)26-6)20(24)23-17-10-8-7-9-13(17)3/h7-10,12,16,22H,11H2,1-6H3,(H,23,24)
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n/an/an/an/a 692n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527503
PNG
(CHEMBL4567938)
Show SMILES CC1=C(C(CCc2ccccc2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C26H28N2O2/c1-17-9-6-7-12-21(17)28-26(30)24-18(2)27-22-13-8-14-23(29)25(22)20(24)16-15-19-10-4-3-5-11-19/h3-7,9-12,20,27H,8,13-16H2,1-2H3,(H,28,30)
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n/an/an/an/a 589n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Rattus norvegicus)
BDBM50527464
PNG
(CHEMBL4564389)
Show SMILES CC1=C(C(c2ccco2)C2=C(CCCC2=O)N1)C(=O)Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C21H18Cl2N2O3/c1-11-18(21(27)25-15-10-12(22)7-8-13(15)23)20(17-6-3-9-28-17)19-14(24-11)4-2-5-16(19)26/h3,6-10,20,24H,2,4-5H2,1H3,(H,25,27)
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n/an/an/an/a 457n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat FFA3 receptor


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527480
PNG
(CHEMBL4446232)
Show SMILES CC1=C(C(C2=C(CCCC2=O)N1)c1cccc(c1)C(F)(F)F)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C25H23F3N2O2/c1-14-7-3-4-10-18(14)30-24(32)21-15(2)29-19-11-6-12-20(31)23(19)22(21)16-8-5-9-17(13-16)25(26,27)28/h3-5,7-10,13,22,29H,6,11-12H2,1-2H3,(H,30,32)
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n/an/an/an/a 1.55E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell membrane assessed as stimulation of [35S]-GTPgammaS binding meas...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527504
PNG
(CHEMBL4470372)
Show SMILES CC1=C(C(c2ccco2)C2=C(CCCC2=O)N1)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C22H22N2O3/c1-13-6-3-7-15(12-13)24-22(26)19-14(2)23-16-8-4-9-17(25)20(16)21(19)18-10-5-11-27-18/h3,5-7,10-12,21,23H,4,8-9H2,1-2H3,(H,24,26)
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n/an/an/an/a 4.57E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell membrane assessed as stimulation of [35S]-GTPgammaS binding meas...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
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