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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 3' AND taxid = 9606   
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 3


(Homo sapiens)
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


(Homo sapiens)
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


(Homo sapiens)
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)
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)
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)
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)
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)
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)
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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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)
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)
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)
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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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 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)
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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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 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)
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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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 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)
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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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 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)
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