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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 3' AND taxid = 9606   
Target
(Institution)
LigandTarget
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


Citation and Details
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


Citation and Details
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)

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)

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)

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

Assay Description
Agonist activity at human GPR41 expressed in 293 cells assessed as cAMP accumulation after 30 mins by Alphascreen method


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair