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USPatent US10273230

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
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 4


(Homo sapiens (Human))		BDBM382131
PNG
(4-(4-((2-(5,6,7,8-tetrahydronaphthalen-2-yl)cycloh...)
Show SMILES OC(=O)CCCc1ccc(OCC2=C(CCCC2)c2ccc3CCCCc3c2)cc1 |t:12|
Show InChI InChI=1S/C27H32O3/c28-27(29)11-5-6-20-12-16-25(17-13-20)30-19-24-9-3-4-10-26(24)23-15-14-21-7-1-2-8-22(21)18-23/h12-18H,1-11,19H2,(H,28,29)
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IRBM/Merck



Assay Description
Beta (β) arrestin 2 Interaction Assay (BRET assay) was performed using CHO-K1 cells stably expressing the GPR120 receptor using β-galactosi...

Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2154KBP
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM382138
PNG
(4-(4-((4-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6-d...)
Show SMILES OC(=O)CCCc1ccc(OCC2=C(CCOC2)c2ccc3CCCCc3c2)cc1 |t:12|
Show InChI InChI=1S/C26H30O4/c27-26(28)7-3-4-19-8-12-24(13-9-19)30-18-23-17-29-15-14-25(23)22-11-10-20-5-1-2-6-21(20)16-22/h8-13,16H,1-7,14-15,17-18H2,(H,27,28)
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n/an/an/an/a 2.75E+3n/an/an/an/a



IRBM/Merck



Assay Description
Beta (β) arrestin 2 Interaction Assay (BRET assay) was performed using CHO-K1 cells stably expressing the GPR120 receptor using β-galactosi...

Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2154KBP
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM382141
PNG
(4-(4-((4-fluoro-4'-methyl-3,4,5,6-tetrahydro-[1,1'...)
Show SMILES Cc1ccc(cc1)C1=C(COc2ccc(CCCC(O)=O)cc2)CC(F)CC1 |c:8|
Show InChI InChI=1S/C24H27FO3/c1-17-5-9-19(10-6-17)23-14-11-21(25)15-20(23)16-28-22-12-7-18(8-13-22)3-2-4-24(26)27/h5-10,12-13,21H,2-4,11,14-16H2,1H3,(H,26,27)
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IRBM/Merck



Assay Description
Beta (β) arrestin 2 Interaction Assay (BRET assay) was performed using CHO-K1 cells stably expressing the GPR120 receptor using β-galactosi...

Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2154KBP
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM382130
PNG
(4-(4-((2-(6-amino-5-(trifluoromethyl)pyridin-3-yl)...)
Show SMILES Nc1ncc(cc1C(F)(F)F)C1=C(COc2ccc(CCCC(O)=O)cc2)CCCC1 |c:12|
Show InChI InChI=1S/C23H25F3N2O3/c24-23(25,26)20-12-17(13-28-22(20)27)19-6-2-1-5-16(19)14-31-18-10-8-15(9-11-18)4-3-7-21(29)30/h8-13H,1-7,14H2,(H2,27,28)(H,29,30)
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IRBM/Merck



Assay Description
Beta (β) arrestin 2 Interaction Assay (BRET assay) was performed using CHO-K1 cells stably expressing the GPR120 receptor using β-galactosi...

Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2154KBP
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM382139
PNG
(4-(4-((2-(p-tolyloxy)cyclohex-1-en-1-yl)methoxy)ph...)
Show SMILES Cc1ccc(OC2=C(COc3ccc(CCCC(O)=O)cc3)CCCC2)cc1 |c:6|
Show InChI InChI=1S/C24H28O4/c1-18-9-13-22(14-10-18)28-23-7-3-2-6-20(23)17-27-21-15-11-19(12-16-21)5-4-8-24(25)26/h9-16H,2-8,17H2,1H3,(H,25,26)
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IRBM/Merck



Assay Description
Beta (β) arrestin 2 Interaction Assay (BRET assay) was performed using CHO-K1 cells stably expressing the GPR120 receptor using β-galactosi...

Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2154KBP
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM382128
PNG
(4-(4-((4'-methoxy-3,4,5,6-tetrahydro-[1,1'-bipheny...)
Show SMILES COc1ccc(cc1)C1=C(COc2ccc(CCCC(O)=O)cc2)CCCC1 |c:9|
Show InChI InChI=1S/C24H28O4/c1-27-21-15-11-19(12-16-21)23-7-3-2-6-20(23)17-28-22-13-9-18(10-14-22)5-4-8-24(25)26/h9-16H,2-8,17H2,1H3,(H,25,26)
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n/an/an/an/a 2.75E+3n/an/an/an/a



IRBM/Merck



Assay Description
Beta (β) arrestin 2 Interaction Assay (BRET assay) was performed using CHO-K1 cells stably expressing the GPR120 receptor using β-galactosi...

Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2154KBP
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM382129
PNG
(4-(4-((4'-cyclopropyl-3,4,5,6-tetrahydro-[1,1'-bip...)
Show SMILES OC(=O)CCCc1ccc(OCC2=C(CCCC2)c2ccc(cc2)C2CC2)cc1 |t:12|
Show InChI InChI=1S/C26H30O3/c27-26(28)7-3-4-19-8-16-24(17-9-19)29-18-23-5-1-2-6-25(23)22-14-12-21(13-15-22)20-10-11-20/h8-9,12-17,20H,1-7,10-11,18H2,(H,27,28)
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IRBM/Merck



Assay Description
Beta (β) arrestin 2 Interaction Assay (BRET assay) was performed using CHO-K1 cells stably expressing the GPR120 receptor using β-galactosi...

Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2154KBP
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM382132
PNG
(4-(4-([1,1'-bi(cyclohexane)]-1,1'-dien-2-ylmethoxy...)
Show SMILES OC(=O)CCCc1ccc(OCC2=C(CCCC2)C2=CCCCC2)cc1 |t:12,19|
Show InChI InChI=1S/C23H30O3/c24-23(25)12-6-7-18-13-15-21(16-14-18)26-17-20-10-4-5-11-22(20)19-8-2-1-3-9-19/h8,13-16H,1-7,9-12,17H2,(H,24,25)
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IRBM/Merck



Assay Description
Beta (β) arrestin 2 Interaction Assay (BRET assay) was performed using CHO-K1 cells stably expressing the GPR120 receptor using β-galactosi...

Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2154KBP
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM382133
PNG
(4-(4-((2-(6-methoxypyridin-3-yl)cyclohex-1-en-1-yl...)
Show SMILES COc1ccc(cn1)C1=C(COc2ccc(CCCC(O)=O)cc2)CCCC1 |c:9|
Show InChI InChI=1S/C23H27NO4/c1-27-22-14-11-18(15-24-22)21-7-3-2-6-19(21)16-28-20-12-9-17(10-13-20)5-4-8-23(25)26/h9-15H,2-8,16H2,1H3,(H,25,26)
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IRBM/Merck



Assay Description
Beta (β) arrestin 2 Interaction Assay (BRET assay) was performed using CHO-K1 cells stably expressing the GPR120 receptor using β-galactosi...

Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2154KBP
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM382134
PNG
(4-(4-((2-(4-(1-cyanocyclopropyl)phenyl)cyclohept-1...)
Show SMILES OC(=O)CCCc1ccc(OCC2=C(CCCCC2)c2ccc(cc2)C2(CC2)C#N)cc1 |t:12|
Show InChI InChI=1S/C28H31NO3/c29-20-28(17-18-28)24-13-11-22(12-14-24)26-7-3-1-2-6-23(26)19-32-25-15-9-21(10-16-25)5-4-8-27(30)31/h9-16H,1-8,17-19H2,(H,30,31)
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IRBM/Merck



Assay Description
Beta (β) arrestin 2 Interaction Assay (BRET assay) was performed using CHO-K1 cells stably expressing the GPR120 receptor using β-galactosi...

Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2154KBP
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM382137
PNG
(4-(4-((4-(4-(1-cyanocyclopropyl)phenyl)-5,6-dihydr...)
Show SMILES OC(=O)CCCc1ccc(OCC2=C(CCOC2)c2ccc(cc2)C2(CC2)C#N)cc1 |t:12|
Show InChI InChI=1S/C26H27NO4/c27-18-26(13-14-26)22-8-6-20(7-9-22)24-12-15-30-16-21(24)17-31-23-10-4-19(5-11-23)2-1-3-25(28)29/h4-11H,1-3,12-17H2,(H,28,29)
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IRBM/Merck



Assay Description
Beta (β) arrestin 2 Interaction Assay (BRET assay) was performed using CHO-K1 cells stably expressing the GPR120 receptor using β-galactosi...

Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2154KBP
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM382140
PNG
(4-(4-((4'-(1-cyanocyclopropyl)-4-methyl-3,4,5,6-te...)
Show SMILES CC(C1=C(CCC(C)C1)c1ccc(cc1)C1(CC1)C#N)c1ccc(CCCC(O)=O)cc1 |t:2|
Show InChI InChI=1S/C29H33NO2/c1-20-6-15-26(24-11-13-25(14-12-24)29(19-30)16-17-29)27(18-20)21(2)23-9-7-22(8-10-23)4-3-5-28(31)32/h7-14,20-21H,3-6,15-18H2,1-2H3,(H,31,32)
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IRBM/Merck



Assay Description
Beta (β) arrestin 2 Interaction Assay (BRET assay) was performed using CHO-K1 cells stably expressing the GPR120 receptor using β-galactosi...

Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2154KBP
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM382126
PNG
(4-(4-((4'-(1-cyanocyclopropyl)-3,4,5,6-tetrahydro-...)
Show SMILES OC(=O)CCCc1ccc(OCC2=C(CCCC2)c2ccc(cc2)C2(CC2)C#N)cc1 |t:12|
Show InChI InChI=1S/C27H29NO3/c28-19-27(16-17-27)23-12-10-21(11-13-23)25-6-2-1-5-22(25)18-31-24-14-8-20(9-15-24)4-3-7-26(29)30/h8-15H,1-7,16-18H2,(H,29,30)
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IRBM/Merck



Assay Description
Beta (β) arrestin 2 Interaction Assay (BRET assay) was performed using CHO-K1 cells stably expressing the GPR120 receptor using β-galactosi...

Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2154KBP
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM382136
PNG
(4-(4-((2-(p-tolyl)cyclohept-1-en-1-yl)methoxy)phen...)
Show SMILES Cc1ccc(cc1)C1=C(COc2ccc(CCCC(O)=O)cc2)CCCCC1 |c:8|
Show InChI InChI=1S/C25H30O3/c1-19-10-14-21(15-11-19)24-8-4-2-3-7-22(24)18-28-23-16-12-20(13-17-23)6-5-9-25(26)27/h10-17H,2-9,18H2,1H3,(H,26,27)
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IRBM/Merck



Assay Description
Beta (β) arrestin 2 Interaction Assay (BRET assay) was performed using CHO-K1 cells stably expressing the GPR120 receptor using β-galactosi...

Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2154KBP
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM382127
PNG
(4-(4-((2-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)c...)
Show SMILES OC(=O)CCCc1ccc(OCC2=C(CCCC2)c2nc3CCCCc3s2)cc1 |t:12|
Show InChI InChI=1S/C24H29NO3S/c26-23(27)11-5-6-17-12-14-19(15-13-17)28-16-18-7-1-2-8-20(18)24-25-21-9-3-4-10-22(21)29-24/h12-15H,1-11,16H2,(H,26,27)
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IRBM/Merck



Assay Description
Beta (β) arrestin 2 Interaction Assay (BRET assay) was performed using CHO-K1 cells stably expressing the GPR120 receptor using β-galactosi...

Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2154KBP
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM382134
PNG
(4-(4-((2-(4-(1-cyanocyclopropyl)phenyl)cyclohept-1...)
Show SMILES OC(=O)CCCc1ccc(OCC2=C(CCCCC2)c2ccc(cc2)C2(CC2)C#N)cc1 |t:12|
Show InChI InChI=1S/C28H31NO3/c29-20-28(17-18-28)24-13-11-22(12-14-24)26-7-3-1-2-6-23(26)19-32-25-15-9-21(10-16-25)5-4-8-27(30)31/h9-16H,1-8,17-19H2,(H,30,31)
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IRBM/Merck



Assay Description
Beta (β) arrestin 2 Interaction Assay (BRET assay) was performed using CHO-K1 cells stably expressing the GPR120 receptor using β-galactosi...

Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2154KBP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%