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Compile Data Set for Download or QSAR

Found 1730 hits Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 2'   
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 2


(Homo sapiens (Human))
BDBM50450436
PNG
(CHEMBL4173663)
Show SMILES OC(=O)C[C@@H](CC1CCCC1)C(=O)N(C1CC1)c1nc(cs1)-c1ccccc1-c1ccc(nc1)-n1cccn1 |r|
Show InChI InChI=1S/C30H31N5O3S/c36-28(37)17-22(16-20-6-1-2-7-20)29(38)35(23-11-12-23)30-33-26(19-39-30)25-9-4-3-8-24(25)21-10-13-27(31-18-21)34-15-5-14-32-34/h3-5,8-10,13-15,18-20,22-23H,1-2,6-7,11-12,16-17H2,(H,36,37)/t22-/m1/s1
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63n/an/an/an/an/an/an/an/a



Ogeda SA

Curated by ChEMBL


Assay Description
Displacement of [3H]ES227703 from human FFA2R expressed in CHOK1 cells after 60 mins by TopCount scintillation counting method


Bioorg Med Chem 26: 5169-5180 (2018)


Article DOI: 10.1016/j.bmc.2018.09.015
BindingDB Entry DOI: 10.7270/Q2RV0R8R
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450440
PNG
(CHEMBL4170829)
Show SMILES COc1ccc(cn1)-c1ccc(Cl)cc1-c1csc(n1)N(C1CC1)C(=O)[C@@H](CC(O)=O)Cc1ccco1 |r|
Show InChI InChI=1S/C27H24ClN3O5S/c1-35-24-9-4-16(14-29-24)21-8-5-18(28)13-22(21)23-15-37-27(30-23)31(19-6-7-19)26(34)17(12-25(32)33)11-20-3-2-10-36-20/h2-5,8-10,13-15,17,19H,6-7,11-12H2,1H3,(H,32,33)/t17-/m1/s1
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100n/an/an/an/an/an/an/an/a



Ogeda SA

Curated by ChEMBL


Assay Description
Displacement of [3H]ES227703 from human FFA2R expressed in CHOK1 cells after 60 mins by TopCount scintillation counting method


Bioorg Med Chem 26: 5169-5180 (2018)


Article DOI: 10.1016/j.bmc.2018.09.015
BindingDB Entry DOI: 10.7270/Q2RV0R8R
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450437
PNG
(CHEMBL4177037)
Show SMILES CC(C)C[C@H](CC(O)=O)C(=O)N(C1CC1)c1nc(cs1)-c1ccccc1-c1ccc(nc1)-n1cccn1 |r|
Show InChI InChI=1S/C28H29N5O3S/c1-18(2)14-20(15-26(34)35)27(36)33(21-9-10-21)28-31-24(17-37-28)23-7-4-3-6-22(23)19-8-11-25(29-16-19)32-13-5-12-30-32/h3-8,11-13,16-18,20-21H,9-10,14-15H2,1-2H3,(H,34,35)/t20-/m1/s1
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158n/an/an/an/an/an/an/an/a



Ogeda SA

Curated by ChEMBL


Assay Description
Displacement of [3H]ES227703 from human FFA2R expressed in CHOK1 cells after 60 mins by TopCount scintillation counting method


Bioorg Med Chem 26: 5169-5180 (2018)


Article DOI: 10.1016/j.bmc.2018.09.015
BindingDB Entry DOI: 10.7270/Q2RV0R8R
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450439
PNG
(CHEMBL4162307)
Show SMILES COc1ccc(cn1)-c1ccccc1-c1csc(n1)N(C1CC1)C(=O)[C@H](CC1CCCC1)CC(O)=O |r|
Show InChI InChI=1S/C28H31N3O4S/c1-35-25-13-10-19(16-29-25)22-8-4-5-9-23(22)24-17-36-28(30-24)31(21-11-12-21)27(34)20(15-26(32)33)14-18-6-2-3-7-18/h4-5,8-10,13,16-18,20-21H,2-3,6-7,11-12,14-15H2,1H3,(H,32,33)/t20-/m1/s1
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158n/an/an/an/an/an/an/an/a



Ogeda SA

Curated by ChEMBL


Assay Description
Displacement of [3H]ES227703 from human FFA2R expressed in CHOK1 cells after 60 mins by TopCount scintillation counting method


Bioorg Med Chem 26: 5169-5180 (2018)


Article DOI: 10.1016/j.bmc.2018.09.015
BindingDB Entry DOI: 10.7270/Q2RV0R8R
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450289
PNG
(CHEMBL4172928)
Show SMILES OC(=O)C[C@@H](Cc1ccccc1)C(=O)N(C1CC1)c1nc(cs1)-c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C23H20Cl2N2O3S/c24-16-6-9-19(25)18(12-16)20-13-31-23(26-20)27(17-7-8-17)22(30)15(11-21(28)29)10-14-4-2-1-3-5-14/h1-6,9,12-13,15,17H,7-8,10-11H2,(H,28,29)/t15-/m1/s1
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200n/an/an/an/an/an/an/an/a



Ogeda SA

Curated by ChEMBL


Assay Description
Displacement of [3H]ES227703 from human FFA2R expressed in CHOK1 cells after 60 mins by TopCount scintillation counting method


Bioorg Med Chem 26: 5169-5180 (2018)


Article DOI: 10.1016/j.bmc.2018.09.015
BindingDB Entry DOI: 10.7270/Q2RV0R8R
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM408766
PNG
((2S,5R)-1-(1-(5-chloro-2-nitrophenyl)piperidine-4-...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1cc(Cl)ccc1[N+]([O-])=O)c1ccccc1Cl
Show InChI InChI=1S/C23H23Cl2N3O5/c24-15-5-6-19(28(32)33)21(13-15)26-11-9-14(10-12-26)22(29)27-18(7-8-20(27)23(30)31)16-3-1-2-4-17(16)25/h1-6,13-14,18,20H,7-12H2,(H,30,31)/t18-,20+/m1/s1
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<200n/an/an/an/an/an/an/an/a



Epics Therapeutics

US Patent


Assay Description
The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...


US Patent US10358416 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4T9T
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM404212
PNG
((2S,5R)-5-(2-chlorophenyl)-1-(2'-cyano-4'-methoxy-...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C28H33ClN4O7S/c29-22-7-3-2-6-21(22)23-10-11-25(28(35)36)32(23)27(34)19-12-16-30(17-13-19)24-9-8-20(18-26(24)33(37)38)41(39,40)31-14-4-1-5-15-31/h2-3,6-9,18-19,23,25H,1,4-5,10-17H2,(H,35,36)/t23-,25+/m1/s1
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<200n/an/an/an/an/an/an/an/a



Epics Therapeutics

US Patent


Assay Description
The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...


US Patent US10358416 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4T9T
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450263
PNG
(CHEMBL4176503)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C22H19ClN2O4S/c1-12-19(13(2)29-24-12)14-7-9-15(10-8-14)20(26)25-18(22(27)28)11-30-21(25)16-5-3-4-6-17(16)23/h3-10,18,21H,11H2,1-2H3,(H,27,28)/t18-,21+/m0/s1
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204n/an/an/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Displacement of [3H]-GLPG0974 from human FFA2 expressed in Flp-InT-REx 293 cell membranes after 2 hrs by liquid scintillation spectrometry


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450435
PNG
(CHEMBL4165748)
Show SMILES COc1ccc(cn1)-c1ccccc1-c1csc(n1)N(C1CC1)C(=O)[C@H](CC(C)C)CC(O)=O |r|
Show InChI InChI=1S/C26H29N3O4S/c1-16(2)12-18(13-24(30)31)25(32)29(19-9-10-19)26-28-22(15-34-26)21-7-5-4-6-20(21)17-8-11-23(33-3)27-14-17/h4-8,11,14-16,18-19H,9-10,12-13H2,1-3H3,(H,30,31)/t18-/m1/s1
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251n/an/an/an/an/an/an/an/a



Ogeda SA

Curated by ChEMBL


Assay Description
Displacement of [3H]ES227703 from human FFA2R expressed in CHOK1 cells after 60 mins by TopCount scintillation counting method


Bioorg Med Chem 26: 5169-5180 (2018)


Article DOI: 10.1016/j.bmc.2018.09.015
BindingDB Entry DOI: 10.7270/Q2RV0R8R
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450441
PNG
(CHEMBL4173387)
Show SMILES CN(C(=O)[C@H](CC1CCCC1)CC(O)=O)c1nc(cs1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C20H23ClN2O3S/c1-23(19(26)14(11-18(24)25)10-13-6-2-3-7-13)20-22-17(12-27-20)15-8-4-5-9-16(15)21/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3,(H,24,25)/t14-/m1/s1
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251n/an/an/an/an/an/an/an/a



Ogeda SA

Curated by ChEMBL


Assay Description
Displacement of [3H]ES227703 from human FFA2R expressed in CHOK1 cells after 60 mins by TopCount scintillation counting method


Bioorg Med Chem 26: 5169-5180 (2018)


Article DOI: 10.1016/j.bmc.2018.09.015
BindingDB Entry DOI: 10.7270/Q2RV0R8R
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450265
PNG
(CHEMBL4170748)
Show SMILES COc1ccccc1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C24H20ClNO4S/c1-30-21-9-5-3-6-17(21)15-10-12-16(13-11-15)22(27)26-20(24(28)29)14-31-23(26)18-7-2-4-8-19(18)25/h2-13,20,23H,14H2,1H3,(H,28,29)/t20-,23+/m0/s1
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339n/an/an/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Displacement of [3H]-GLPG0974 from human FFA2 expressed in Flp-InT-REx 293 cell membranes after 2 hrs by liquid scintillation spectrometry


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450273
PNG
(CHEMBL4168456)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)C(=O)N1[C@@H](CC[C@@H]1c1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C23H21ClN2O4/c1-13-21(14(2)30-25-13)15-7-9-16(10-8-15)22(27)26-19(11-12-20(26)23(28)29)17-5-3-4-6-18(17)24/h3-10,19-20H,11-12H2,1-2H3,(H,28,29)/t19-,20+/m1/s1
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398n/an/an/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Displacement of [3H]-GLPG0974 from human FFA2 expressed in Flp-InT-REx 293 cell membranes after 2 hrs by liquid scintillation spectrometry


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450438
PNG
(CHEMBL4166818)
Show SMILES OC(=O)C[C@@H](Cc1ccccc1)C(=O)N(C1CC1)c1nc(cs1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C23H21ClN2O3S/c24-19-9-5-4-8-18(19)20-14-30-23(25-20)26(17-10-11-17)22(29)16(13-21(27)28)12-15-6-2-1-3-7-15/h1-9,14,16-17H,10-13H2,(H,27,28)/t16-/m1/s1
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398n/an/an/an/an/an/an/an/a



Ogeda SA

Curated by ChEMBL


Assay Description
Displacement of [3H]ES227703 from human FFA2R expressed in CHOK1 cells after 60 mins by TopCount scintillation counting method


Bioorg Med Chem 26: 5169-5180 (2018)


Article DOI: 10.1016/j.bmc.2018.09.015
BindingDB Entry DOI: 10.7270/Q2RV0R8R
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM403752
PNG
((2S,5R)-5-(2-chlorophenyl)-1-(2'-methoxy-[1,1'-bip...)
Show SMILES COc1ccccc1-c1ccc(cc1)C(=O)N1[C@@H](CC[C@@H]1c1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C25H22ClNO4/c1-31-23-9-5-3-6-18(23)16-10-12-17(13-11-16)24(28)27-21(14-15-22(27)25(29)30)19-7-2-4-8-20(19)26/h2-13,21-22H,14-15H2,1H3,(H,29,30)/t21-,22+/m1/s1
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479n/an/an/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Displacement of [3H]-GLPG0974 from human FFA2 expressed in Flp-InT-REx 293 cell membranes after 2 hrs by liquid scintillation spectrometry


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM404212
PNG
((2S,5R)-5-(2-chlorophenyl)-1-(2'-cyano-4'-methoxy-...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C28H33ClN4O7S/c29-22-7-3-2-6-21(22)23-10-11-25(28(35)36)32(23)27(34)19-12-16-30(17-13-19)24-9-8-20(18-26(24)33(37)38)41(39,40)31-14-4-1-5-15-31/h2-3,6-9,18-19,23,25H,1,4-5,10-17H2,(H,35,36)/t23-,25+/m1/s1
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600n/an/an/an/an/an/an/an/a



Epics Therapeutics

US Patent


Assay Description
The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...


US Patent US10358416 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4T9T
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM408762
PNG
((2S,5R)-5-(2-chlorophenyl)-1-(1-(2-cyano-4-nitroph...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1C#N)[N+]([O-])=O)c1ccccc1Cl
Show InChI InChI=1S/C24H23ClN4O5/c25-19-4-2-1-3-18(19)21-7-8-22(24(31)32)28(21)23(30)15-9-11-27(12-10-15)20-6-5-17(29(33)34)13-16(20)14-26/h1-6,13,15,21-22H,7-12H2,(H,31,32)/t21-,22+/m1/s1
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600n/an/an/an/an/an/an/an/a



Epics Therapeutics

US Patent


Assay Description
The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...


US Patent US10358416 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4T9T
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM408761
PNG
((2S,5R)-5-(2-chlorophenyl)-1-(1-(4-methyl-2-nitrop...)
Show SMILES Cc1ccc(N2CCC(CC2)C(=O)N2[C@@H](CC[C@@H]2c2ccccc2Cl)C(O)=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H26ClN3O5/c1-15-6-7-20(22(14-15)28(32)33)26-12-10-16(11-13-26)23(29)27-19(8-9-21(27)24(30)31)17-4-2-3-5-18(17)25/h2-7,14,16,19,21H,8-13H2,1H3,(H,30,31)/t19-,21+/m1/s1
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600n/an/an/an/an/an/an/an/a



Epics Therapeutics

US Patent


Assay Description
The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...


US Patent US10358416 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4T9T
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450443
PNG
(CHEMBL4174307)
Show SMILES CN(C(=O)[C@@H](CC(O)=O)Cc1ccccc1)c1nc(cs1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H19ClN2O3S/c1-24(21-23-18(13-28-21)16-9-5-6-10-17(16)22)20(27)15(12-19(25)26)11-14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3,(H,25,26)/t15-/m1/s1
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794n/an/an/an/an/an/an/an/a



Ogeda SA

Curated by ChEMBL


Assay Description
Displacement of [3H]ES227703 from human FFA2R expressed in CHOK1 cells after 60 mins by TopCount scintillation counting method


Bioorg Med Chem 26: 5169-5180 (2018)


Article DOI: 10.1016/j.bmc.2018.09.015
BindingDB Entry DOI: 10.7270/Q2RV0R8R
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450268
PNG
(CHEMBL4167577)
Show SMILES OC(=O)[C@@H]1CS[C@@H](N1C(=O)c1ccc(cc1)-c1ccccc1)c1ccccc1Cl |r|
Show InChI InChI=1S/C23H18ClNO3S/c24-19-9-5-4-8-18(19)22-25(20(14-29-22)23(27)28)21(26)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13,20,22H,14H2,(H,27,28)/t20-,22+/m0/s1
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977n/an/an/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Displacement of [3H]-GLPG0974 from human FFA2 expressed in Flp-InT-REx 293 cell membranes after 2 hrs by liquid scintillation spectrometry


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM408767
PNG
((2S,5R)-5-(2-chlorophenyl)-1-(1-(2-nitrophenyl)pip...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccccc1[N+]([O-])=O)c1ccccc1Cl
Show InChI InChI=1S/C23H24ClN3O5/c24-17-6-2-1-5-16(17)18-9-10-21(23(29)30)26(18)22(28)15-11-13-25(14-12-15)19-7-3-4-8-20(19)27(31)32/h1-8,15,18,21H,9-14H2,(H,29,30)/t18-,21+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Epics Therapeutics

US Patent


Assay Description
The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...


US Patent US10358416 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4T9T
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM408765
PNG
( (2S,5R)-5-(2-chlorophenyl)-1-(1-(3-methoxy-4-nitr...)
Show SMILES COc1cc(ccc1[N+]([O-])=O)N1CCC(CC1)C(=O)N1[C@@H](CC[C@@H]1c1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C24H26ClN3O6/c1-34-22-14-16(6-7-20(22)28(32)33)26-12-10-15(11-13-26)23(29)27-19(8-9-21(27)24(30)31)17-4-2-3-5-18(17)25/h2-7,14-15,19,21H,8-13H2,1H3,(H,30,31)/t19-,21+/m1/s1
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Epics Therapeutics

US Patent


Assay Description
The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...


US Patent US10358416 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4T9T
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM408764
PNG
((2S,5R)-5-(2-chlorophenyl)-1-(1-(2-fluoro-4-nitrop...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1F)[N+]([O-])=O)c1ccccc1Cl
Show InChI InChI=1S/C23H23ClFN3O5/c24-17-4-2-1-3-16(17)19-7-8-21(23(30)31)27(19)22(29)14-9-11-26(12-10-14)20-6-5-15(28(32)33)13-18(20)25/h1-6,13-14,19,21H,7-12H2,(H,30,31)/t19-,21+/m1/s1
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Epics Therapeutics

US Patent


Assay Description
The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...


US Patent US10358416 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4T9T
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM408763
PNG
( (2S,5R)-5-(2-chlorophenyl)-1-(1-(4-nitrophenyl)pi...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)c1ccccc1Cl
Show InChI InChI=1S/C23H24ClN3O5/c24-19-4-2-1-3-18(19)20-9-10-21(23(29)30)26(20)22(28)15-11-13-25(14-12-15)16-5-7-17(8-6-16)27(31)32/h1-8,15,20-21H,9-14H2,(H,29,30)/t20-,21+/m1/s1
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Epics Therapeutics

US Patent


Assay Description
The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...


US Patent US10358416 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4T9T
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM408760
PNG
((2S,5R)-5-(2-chlorophenyl)-1-(1-(4-(N,N-diethylsul...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(N2CCC(CC2)C(=O)N2[C@@H](CC[C@@H]2c2ccccc2Cl)C(O)=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C27H33ClN4O7S/c1-3-30(4-2)40(38,39)19-9-10-23(25(17-19)32(36)37)29-15-13-18(14-16-29)26(33)31-22(11-12-24(31)27(34)35)20-7-5-6-8-21(20)28/h5-10,17-18,22,24H,3-4,11-16H2,1-2H3,(H,34,35)/t22-,24+/m1/s1
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Epics Therapeutics

US Patent


Assay Description
The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...


US Patent US10358416 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4T9T
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM408758
PNG
( (2S,5R)-5-(2-chlorophenyl)-1-(1-(4-(morpholinosul...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCOCC1)c1ccccc1Cl
Show InChI InChI=1S/C27H31ClN4O8S/c28-21-4-2-1-3-20(21)22-7-8-24(27(34)35)31(22)26(33)18-9-11-29(12-10-18)23-6-5-19(17-25(23)32(36)37)41(38,39)30-13-15-40-16-14-30/h1-6,17-18,22,24H,7-16H2,(H,34,35)/t22-,24+/m1/s1
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Epics Therapeutics

US Patent


Assay Description
The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...


US Patent US10358416 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4T9T
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM408766
PNG
((2S,5R)-1-(1-(5-chloro-2-nitrophenyl)piperidine-4-...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1cc(Cl)ccc1[N+]([O-])=O)c1ccccc1Cl
Show InChI InChI=1S/C23H23Cl2N3O5/c24-15-5-6-19(28(32)33)21(13-15)26-11-9-14(10-12-26)22(29)27-18(7-8-20(27)23(30)31)16-3-1-2-4-17(16)25/h1-6,13-14,18,20H,7-12H2,(H,30,31)/t18-,20+/m1/s1
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Epics Therapeutics

US Patent


Assay Description
Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...


US Patent US10781171 (2020)


BindingDB Entry DOI: 10.7270/Q2XP780V
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM404211
PNG
((2S,5R)-5-(2-cyanophenyl)-1-(2'-methoxy-[1,1'-biph...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F)c1ccccc1Cl
Show InChI InChI=1S/C24H23ClF3N3O5/c25-17-4-2-1-3-16(17)18-7-8-20(23(33)34)30(18)22(32)14-9-11-29(12-10-14)19-6-5-15(24(26,27)28)13-21(19)31(35)36/h1-6,13-14,18,20H,7-12H2,(H,33,34)/t18-,20+/m1/s1
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Epics Therapeutics

US Patent


Assay Description
Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...


US Patent US10781171 (2020)


BindingDB Entry DOI: 10.7270/Q2XP780V
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450272
PNG
(CHEMBL4159019)
Show SMILES COc1ccccc1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C24H21NO4S/c1-29-21-10-6-5-9-19(21)16-11-13-17(14-12-16)22(26)25-20(24(27)28)15-30-23(25)18-7-3-2-4-8-18/h2-14,20,23H,15H2,1H3,(H,27,28)/t20-,23+/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Displacement of [3H]-GLPG0974 from human FFA2 expressed in Flp-InT-REx 293 cell membranes after 2 hrs by liquid scintillation spectrometry


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM408761
PNG
((2S,5R)-5-(2-chlorophenyl)-1-(1-(4-methyl-2-nitrop...)
Show SMILES Cc1ccc(N2CCC(CC2)C(=O)N2[C@@H](CC[C@@H]2c2ccccc2Cl)C(O)=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H26ClN3O5/c1-15-6-7-20(22(14-15)28(32)33)26-12-10-16(11-13-26)23(29)27-19(8-9-21(27)24(30)31)17-4-2-3-5-18(17)25/h2-7,14,16,19,21H,8-13H2,1H3,(H,30,31)/t19-,21+/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Epics Therapeutics

US Patent


Assay Description
Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...


US Patent US10781171 (2020)


BindingDB Entry DOI: 10.7270/Q2XP780V
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM408762
PNG
((2S,5R)-5-(2-chlorophenyl)-1-(1-(2-cyano-4-nitroph...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1C#N)[N+]([O-])=O)c1ccccc1Cl
Show InChI InChI=1S/C24H23ClN4O5/c25-19-4-2-1-3-18(19)21-7-8-22(24(31)32)28(21)23(30)15-9-11-27(12-10-15)20-6-5-17(29(33)34)13-16(20)14-26/h1-6,13,15,21-22H,7-12H2,(H,31,32)/t21-,22+/m1/s1
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Epics Therapeutics

US Patent


Assay Description
Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...


US Patent US10781171 (2020)


BindingDB Entry DOI: 10.7270/Q2XP780V
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM404212
PNG
((2S,5R)-5-(2-chlorophenyl)-1-(2'-cyano-4'-methoxy-...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C28H33ClN4O7S/c29-22-7-3-2-6-21(22)23-10-11-25(28(35)36)32(23)27(34)19-12-16-30(17-13-19)24-9-8-20(18-26(24)33(37)38)41(39,40)31-14-4-1-5-15-31/h2-3,6-9,18-19,23,25H,1,4-5,10-17H2,(H,35,36)/t23-,25+/m1/s1
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Epics Therapeutics

US Patent


Assay Description
Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...


US Patent US10781171 (2020)


BindingDB Entry DOI: 10.7270/Q2XP780V
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450434
PNG
(CHEMBL4172349)
Show SMILES CN(C(=O)[C@H](CC1CCOCC1)CC(O)=O)c1nc(cs1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C20H23ClN2O4S/c1-23(20-22-17(12-28-20)15-4-2-3-5-16(15)21)19(26)14(11-18(24)25)10-13-6-8-27-9-7-13/h2-5,12-14H,6-11H2,1H3,(H,24,25)/t14-/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Ogeda SA

Curated by ChEMBL


Assay Description
Displacement of [3H]ES227703 from human FFA2R expressed in CHOK1 cells after 60 mins by TopCount scintillation counting method


Bioorg Med Chem 26: 5169-5180 (2018)


Article DOI: 10.1016/j.bmc.2018.09.015
BindingDB Entry DOI: 10.7270/Q2RV0R8R
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM408760
PNG
((2S,5R)-5-(2-chlorophenyl)-1-(1-(4-(N,N-diethylsul...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(N2CCC(CC2)C(=O)N2[C@@H](CC[C@@H]2c2ccccc2Cl)C(O)=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C27H33ClN4O7S/c1-3-30(4-2)40(38,39)19-9-10-23(25(17-19)32(36)37)29-15-13-18(14-16-29)26(33)31-22(11-12-24(31)27(34)35)20-7-5-6-8-21(20)28/h5-10,17-18,22,24H,3-4,11-16H2,1-2H3,(H,34,35)/t22-,24+/m1/s1
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Epics Therapeutics

US Patent


Assay Description
Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...


US Patent US10781171 (2020)


BindingDB Entry DOI: 10.7270/Q2XP780V
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM408763
PNG
( (2S,5R)-5-(2-chlorophenyl)-1-(1-(4-nitrophenyl)pi...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)c1ccccc1Cl
Show InChI InChI=1S/C23H24ClN3O5/c24-19-4-2-1-3-18(19)20-9-10-21(23(29)30)26(20)22(28)15-11-13-25(14-12-15)16-5-7-17(8-6-16)27(31)32/h1-8,15,20-21H,9-14H2,(H,29,30)/t20-,21+/m1/s1
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Epics Therapeutics

US Patent


Assay Description
Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...


US Patent US10781171 (2020)


BindingDB Entry DOI: 10.7270/Q2XP780V
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM408764
PNG
((2S,5R)-5-(2-chlorophenyl)-1-(1-(2-fluoro-4-nitrop...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1F)[N+]([O-])=O)c1ccccc1Cl
Show InChI InChI=1S/C23H23ClFN3O5/c24-17-4-2-1-3-16(17)19-7-8-21(23(30)31)27(19)22(29)14-9-11-26(12-10-14)20-6-5-15(28(32)33)13-18(20)25/h1-6,13-14,19,21H,7-12H2,(H,30,31)/t19-,21+/m1/s1
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Epics Therapeutics

US Patent


Assay Description
Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...


US Patent US10781171 (2020)


BindingDB Entry DOI: 10.7270/Q2XP780V
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM408767
PNG
((2S,5R)-5-(2-chlorophenyl)-1-(1-(2-nitrophenyl)pip...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccccc1[N+]([O-])=O)c1ccccc1Cl
Show InChI InChI=1S/C23H24ClN3O5/c24-17-6-2-1-5-16(17)18-9-10-21(23(29)30)26(18)22(28)15-11-13-25(14-12-15)19-7-3-4-8-20(19)27(31)32/h1-8,15,18,21H,9-14H2,(H,29,30)/t18-,21+/m1/s1
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Epics Therapeutics

US Patent


Assay Description
Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...


US Patent US10781171 (2020)


BindingDB Entry DOI: 10.7270/Q2XP780V
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM408758
PNG
( (2S,5R)-5-(2-chlorophenyl)-1-(1-(4-(morpholinosul...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCOCC1)c1ccccc1Cl
Show InChI InChI=1S/C27H31ClN4O8S/c28-21-4-2-1-3-20(21)22-7-8-24(27(34)35)31(22)26(33)18-9-11-29(12-10-18)23-6-5-19(17-25(23)32(36)37)41(38,39)30-13-15-40-16-14-30/h1-6,17-18,22,24H,7-16H2,(H,34,35)/t22-,24+/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Epics Therapeutics

US Patent


Assay Description
Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...


US Patent US10781171 (2020)


BindingDB Entry DOI: 10.7270/Q2XP780V
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM408765
PNG
( (2S,5R)-5-(2-chlorophenyl)-1-(1-(3-methoxy-4-nitr...)
Show SMILES COc1cc(ccc1[N+]([O-])=O)N1CCC(CC1)C(=O)N1[C@@H](CC[C@@H]1c1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C24H26ClN3O6/c1-34-22-14-16(6-7-20(22)28(32)33)26-12-10-15(11-13-26)23(29)27-19(8-9-21(27)24(30)31)17-4-2-3-5-18(17)25/h2-7,14-15,19,21H,8-13H2,1H3,(H,30,31)/t19-,21+/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Epics Therapeutics

US Patent


Assay Description
Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...


US Patent US10781171 (2020)


BindingDB Entry DOI: 10.7270/Q2XP780V
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450442
PNG
(CHEMBL4170872)
Show SMILES CN(C(=O)[C@H](CC(O)=O)Cc1ccccc1)c1nc(cs1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H19ClN2O3S/c1-24(21-23-18(13-28-21)16-9-5-6-10-17(16)22)20(27)15(12-19(25)26)11-14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3,(H,25,26)/t15-/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



Ogeda SA

Curated by ChEMBL


Assay Description
Displacement of [3H]ES227703 from human FFA2R expressed in CHOK1 cells after 60 mins by TopCount scintillation counting method


Bioorg Med Chem 26: 5169-5180 (2018)


Article DOI: 10.1016/j.bmc.2018.09.015
BindingDB Entry DOI: 10.7270/Q2RV0R8R
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032334
PNG
(CHEMBL3353541)
Show SMILES C[C@@]1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H25ClN2O4S/c1-25(11-13-28(25)23(31)20-16-33-21-9-3-2-8-19(20)21)24(32)27(12-5-10-22(29)30)15-17-6-4-7-18(26)14-17/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,29,30)/t25-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032340
PNG
(CHEMBL3353514)
Show SMILES CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C25H25ClN2O4S/c1-25(11-13-28(25)23(31)20-16-33-21-9-3-2-8-19(20)21)24(32)27(12-5-10-22(29)30)15-17-6-4-7-18(26)14-17/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,29,30)
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n/an/a 25n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032302
PNG
(CHEMBL3353483)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CC(O)=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClN2O4S/c1-24(23(31)26(14-22(29)30)13-16-6-8-18(25)9-7-16)10-11-27(24)21(28)12-17-15-32-20-5-3-2-4-19(17)20/h2-9,15H,10-14H2,1H3,(H,29,30)
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n/an/a 36n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032437
PNG
(CHEMBL3353533)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2ccoc2c1
Show InChI InChI=1S/C28H28N2O5S/c1-28(11-13-30(28)25(31)16-21-18-36-24-6-3-2-5-22(21)24)27(34)29(12-4-7-26(32)33)17-19-8-9-20-10-14-35-23(20)15-19/h2-3,5-6,8-10,14-15,18H,4,7,11-13,16-17H2,1H3,(H,32,33)
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n/an/a 36n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032438
PNG
(CHEMBL3353534)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2cn[nH]c2c1
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n/an/a 40n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032300
PNG
(CHEMBL3353485)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O4S/c1-26(12-14-29(26)23(30)15-19-17-34-22-6-3-2-5-21(19)22)25(33)28(13-4-7-24(31)32)16-18-8-10-20(27)11-9-18/h2-3,5-6,8-11,17H,4,7,12-16H2,1H3,(H,31,32)
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n/an/a 42n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032305
PNG
(CHEMBL3353480)
Show SMILES CNS(=O)(=O)CCCN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)Cc1csc2ccccc12
Show InChI InChI=1S/C26H30ClN3O4S2/c1-26(12-14-30(26)24(31)16-20-18-35-23-7-4-3-6-22(20)23)25(32)29(13-5-15-36(33,34)28-2)17-19-8-10-21(27)11-9-19/h3-4,6-11,18,28H,5,12-17H2,1-2H3
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n/an/a 44n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032378
PNG
(CHEMBL3353532)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2cc[nH]c2c1
Show InChI InChI=1S/C28H29N3O4S/c1-28(11-14-31(28)25(32)16-21-18-36-24-6-3-2-5-22(21)24)27(35)30(13-4-7-26(33)34)17-19-8-9-20-10-12-29-23(20)15-19/h2-3,5-6,8-10,12,15,18,29H,4,7,11,13-14,16-17H2,1H3,(H,33,34)
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n/an/a 48n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032375
PNG
(CHEMBL3353530)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N2O4S/c1-26(12-14-32(26)23(33)15-19-17-37-22-6-3-2-5-21(19)22)25(36)31(13-4-7-24(34)35)16-18-8-10-20(11-9-18)27(28,29)30/h2-3,5-6,8-11,17H,4,7,12-16H2,1H3,(H,34,35)
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n/an/a 57n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032341
PNG
(CHEMBL3353515)
Show SMILES CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2cc[nH]c2c1
Show InChI InChI=1S/C27H27N3O4S/c1-27(11-14-30(27)25(33)21-17-35-23-6-3-2-5-20(21)23)26(34)29(13-4-7-24(31)32)16-18-8-9-19-10-12-28-22(19)15-18/h2-3,5-6,8-10,12,15,17,28H,4,7,11,13-14,16H2,1H3,(H,31,32)
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n/an/a 63n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032337
PNG
(CHEMBL3353511)
Show SMILES CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClN2O4S/c1-24(12-14-27(24)22(30)19-15-32-20-6-3-2-5-18(19)20)23(31)26(13-4-7-21(28)29)17-10-8-16(25)9-11-17/h2-3,5-6,8-11,15H,4,7,12-14H2,1H3,(H,28,29)
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n/an/a 63n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
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