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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 3' AND taxid = 10090   
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


(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


(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


(Mus musculus)
BDBM50527468
PNG
(CHEMBL4530642)
Show SMILES CC1=C(C(C2CCCC2)C2=C(CCCC2=O)N1)C(=O)Nc1cc(Cl)ccc1Cl |t:1,10|
Show InChI InChI=1S/C22H24Cl2N2O2/c1-12-19(22(28)26-17-11-14(23)9-10-15(17)24)20(13-5-2-3-6-13)21-16(25-12)7-4-8-18(21)27/h9-11,13,20,25H,2-8H2,1H3,(H,26,28)
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n/an/an/an/a 1.10E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at mouse FFA3 receptor


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
BindingDB Entry DOI: 10.7270/Q27H1P0M
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Mus musculus)
BDBM50527464
PNG
(CHEMBL4564389)
Show SMILES CC1=C(C(c2ccco2)C2=C(CCCC2=O)N1)C(=O)Nc1cc(Cl)ccc1Cl |t:1,10|
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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PDB
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n/an/an/an/a 1.32E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at mouse FFA3 receptor


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
BindingDB Entry DOI: 10.7270/Q27H1P0M
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Mus musculus)
BDBM50527469
PNG
(CHEMBL4448591)
Show SMILES CC1=C(C(c2ccco2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C |t:1,10|
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 3.80E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at mouse FFA3 receptor


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
BindingDB Entry DOI: 10.7270/Q27H1P0M
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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CHEMBL
MCE
PC cid
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UniChem

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Article
PubMed
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