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Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'dutta' and Initial = 'p'   
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
Ribonuclease pancreatic


(Homo sapiens (Human))
BDBM50375418
PNG
(CHEMBL408119)
Show SMILES Cc1cn([C@H]2C[C@H](OP(O)(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(7(4-13)19-8)20-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
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1.32E+4n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Activity at RNase A


Bioorg Med Chem 16: 2819-28 (2008)


Article DOI: 10.1016/j.bmc.2008.01.003
BindingDB Entry DOI: 10.7270/Q2BK1D72
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Homo sapiens (Human))
BDBM50375420
PNG
(CHEMBL266234)
Show SMILES CC(=O)O[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H16N2O6/c1-6-4-14(12(18)13-11(6)17)10-3-8(19-7(2)16)9(5-15)20-10/h4,8-10,15H,3,5H2,1-2H3,(H,13,17,18)/t8-,9+,10+/m0/s1
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4.20E+4n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Activity at RNase A


Bioorg Med Chem 16: 2819-28 (2008)


Article DOI: 10.1016/j.bmc.2008.01.003
BindingDB Entry DOI: 10.7270/Q2BK1D72
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Homo sapiens (Human))
BDBM50375419
PNG
(CHEMBL259808)
Show SMILES Cc1cn([C@H]2C[C@H](OC(=O)c3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H18N2O6/c1-10-8-19(17(23)18-15(10)21)14-7-12(13(9-20)24-14)25-16(22)11-5-3-2-4-6-11/h2-6,8,12-14,20H,7,9H2,1H3,(H,18,21,23)/t12-,13+,14+/m0/s1
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9.50E+4n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Activity at RNase A


Bioorg Med Chem 16: 2819-28 (2008)


Article DOI: 10.1016/j.bmc.2008.01.003
BindingDB Entry DOI: 10.7270/Q2BK1D72
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Homo sapiens (Human))
BDBM50233301
PNG
(CHEMBL258728 | cytidine-3'-monophosphate)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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1.03E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Activity at RNase A


Bioorg Med Chem 16: 2819-28 (2008)


Article DOI: 10.1016/j.bmc.2008.01.003
BindingDB Entry DOI: 10.7270/Q2BK1D72
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/a 1.01n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain


Bioorg Med Chem 17: 5782-90 (2009)


Article DOI: 10.1016/j.bmc.2009.07.024
BindingDB Entry DOI: 10.7270/Q2VQ32RF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50304074
PNG
(2-(2-methylquinolin-4-ylamino)-N-phenylacetamide |...)
Show SMILES Cc1cc(NCC(=O)Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C18H17N3O/c1-13-11-17(15-9-5-6-10-16(15)20-13)19-12-18(22)21-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,20)(H,21,22)
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n/an/a 1.03n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Displacement of [3H]dynorphin from human kappa opioid receptor expressed in C6 giloma cells


Bioorg Med Chem 17: 5782-90 (2009)


Article DOI: 10.1016/j.bmc.2009.07.024
BindingDB Entry DOI: 10.7270/Q2VQ32RF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50304074
PNG
(2-(2-methylquinolin-4-ylamino)-N-phenylacetamide |...)
Show SMILES Cc1cc(NCC(=O)Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C18H17N3O/c1-13-11-17(15-9-5-6-10-16(15)20-13)19-12-18(22)21-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,20)(H,21,22)
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n/an/a 1.15n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain


Bioorg Med Chem 17: 5782-90 (2009)


Article DOI: 10.1016/j.bmc.2009.07.024
BindingDB Entry DOI: 10.7270/Q2VQ32RF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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n/an/a 1.99n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Displacement of [3H]dynorphin from human kappa opioid receptor expressed in C6 giloma cells


Bioorg Med Chem 17: 5782-90 (2009)


Article DOI: 10.1016/j.bmc.2009.07.024
BindingDB Entry DOI: 10.7270/Q2VQ32RF
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Homo sapiens (Human))
BDBM50375418
PNG
(CHEMBL408119)
Show SMILES Cc1cn([C@H]2C[C@H](OP(O)(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(7(4-13)19-8)20-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
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n/an/a 1.67E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of RNase A by precipitation assay


Bioorg Med Chem 16: 2819-28 (2008)


Article DOI: 10.1016/j.bmc.2008.01.003
BindingDB Entry DOI: 10.7270/Q2BK1D72
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Homo sapiens (Human))
BDBM50375420
PNG
(CHEMBL266234)
Show SMILES CC(=O)O[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H16N2O6/c1-6-4-14(12(18)13-11(6)17)10-3-8(19-7(2)16)9(5-15)20-10/h4,8-10,15H,3,5H2,1-2H3,(H,13,17,18)/t8-,9+,10+/m0/s1
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n/an/a 1.97E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of RNase A by precipitation assay


Bioorg Med Chem 16: 2819-28 (2008)


Article DOI: 10.1016/j.bmc.2008.01.003
BindingDB Entry DOI: 10.7270/Q2BK1D72
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Homo sapiens (Human))
BDBM50233301
PNG
(CHEMBL258728 | cytidine-3'-monophosphate)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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n/an/a 3.12E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of RNase A by precipitation assay


Bioorg Med Chem 16: 2819-28 (2008)


Article DOI: 10.1016/j.bmc.2008.01.003
BindingDB Entry DOI: 10.7270/Q2BK1D72
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Homo sapiens (Human))
BDBM50375419
PNG
(CHEMBL259808)
Show SMILES Cc1cn([C@H]2C[C@H](OC(=O)c3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H18N2O6/c1-10-8-19(17(23)18-15(10)21)14-7-12(13(9-20)24-14)25-16(22)11-5-3-2-4-6-11/h2-6,8,12-14,20H,7,9H2,1H3,(H,18,21,23)/t12-,13+,14+/m0/s1
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n/an/a 3.41E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of RNase A by precipitation assay


Bioorg Med Chem 16: 2819-28 (2008)


Article DOI: 10.1016/j.bmc.2008.01.003
BindingDB Entry DOI: 10.7270/Q2BK1D72
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527466
PNG
(CHEMBL4570341)
Show SMILES CC1=C(C(c2cccs2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C |t:1,10|
Show InChI InChI=1S/C22H22N2O2S/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 1.20E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of...


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


(Homo sapiens (Human))
BDBM50527475
PNG
(CHEMBL4470184)
Show SMILES CC(C)CC1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2 |c:20,t:16|
Show InChI InChI=1S/C22H28N2O2/c1-13(2)12-16-20(22(26)24-17-9-6-5-8-14(17)3)15(4)23-18-10-7-11-19(25)21(16)18/h5-6,8-9,13,16,23H,7,10-12H2,1-4H3,(H,24,26)
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n/an/an/an/a 525n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of...


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


(Homo sapiens (Human))
BDBM50527481
PNG
(CHEMBL4560915)
Show SMILES CC(C)CC1C(C#N)=C(C)NC(C)=C1C(=O)Nc1ccccc1C |c:12,t:7|
Show InChI InChI=1S/C20H25N3O/c1-12(2)10-16-17(11-21)14(4)22-15(5)19(16)20(24)23-18-9-7-6-8-13(18)3/h6-9,12,16,22H,10H2,1-5H3,(H,23,24)
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n/an/an/an/a 380n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of...


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


(Homo sapiens (Human))
BDBM50527493
PNG
(CHEMBL4457531)
Show SMILES CCCC1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2 |c:19,t:15|
Show InChI InChI=1S/C21H26N2O2/c1-4-8-15-19(21(25)23-16-10-6-5-9-13(16)2)14(3)22-17-11-7-12-18(24)20(15)17/h5-6,9-10,15,22H,4,7-8,11-12H2,1-3H3,(H,23,25)
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n/an/an/an/a 692n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of...


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


(Homo sapiens (Human))
BDBM50527484
PNG
(CHEMBL4584743)
Show SMILES CCCCC1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2 |c:20,t:16|
Show InChI InChI=1S/C22H28N2O2/c1-4-5-10-16-20(22(26)24-17-11-7-6-9-14(17)2)15(3)23-18-12-8-13-19(25)21(16)18/h6-7,9,11,16,23H,4-5,8,10,12-13H2,1-3H3,(H,24,26)
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n/an/an/an/a 263n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of...


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


(Homo sapiens (Human))
BDBM50527494
PNG
(CHEMBL4443269)
Show SMILES CC1=C(C(\C=C\c2ccccc2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C |t:1,13|
Show InChI InChI=1S/C26H26N2O2/c1-17-9-6-7-12-21(17)28-26(30)24-18(2)27-22-13-8-14-23(29)25(22)20(24)16-15-19-10-4-3-5-11-19/h3-7,9-12,15-16,20,27H,8,13-14H2,1-2H3,(H,28,30)/b16-15+
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n/an/an/an/a 724n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of...


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


(Rattus norvegicus)
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 1.35E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat 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


(Homo sapiens (Human))
BDBM50527478
PNG
(CHEMBL4569482)
Show SMILES CC1=C(C(c2ccoc2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C |t:1,10|
Show InChI InChI=1S/C22H22N2O3/c1-13-6-3-4-7-16(13)24-22(26)19-14(2)23-17-8-5-9-18(25)21(17)20(19)15-10-11-27-12-15/h3-4,6-7,10-12,20,23H,5,8-9H2,1-2H3,(H,24,26)
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n/an/an/an/a 5.75E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell membrane assessed as stimulation of [35S]-GTPgammaS binding meas...


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


(Homo sapiens (Human))
BDBM50527495
PNG
(CHEMBL4451216)
Show SMILES CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(C)cc1)C(=O)Nc1ccccc1C |t:1,4|
Show InChI InChI=1S/C25H26N2O2/c1-15-11-13-18(14-12-15)23-22(25(29)27-19-8-5-4-7-16(19)2)17(3)26-20-9-6-10-21(28)24(20)23/h4-5,7-8,11-14,23,26H,6,9-10H2,1-3H3,(H,27,29)
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n/an/an/an/a 3.02E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell membrane assessed as stimulation of [35S]-GTPgammaS binding meas...


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


(Homo sapiens (Human))
BDBM50527463
PNG
(CHEMBL4545039)
Show SMILES CC1=C(C(c2ccco2)C2=C(CCCC2=O)N1)C(=O)Nc1ccc(C)cc1 |t:1,10|
Show InChI InChI=1S/C22H22N2O3/c1-13-8-10-15(11-9-13)24-22(26)19-14(2)23-16-5-3-6-17(25)20(16)21(19)18-7-4-12-27-18/h4,7-12,21,23H,3,5-6H2,1-2H3,(H,24,26)
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n/an/an/an/a 5.37E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell membrane assessed as stimulation of [35S]-GTPgammaS binding meas...


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


(Homo sapiens (Human))
BDBM50527496
PNG
(CHEMBL4560771)
Show SMILES CC(C)CC1C(C(=O)Nc2ccccc2I)=C(C)NC2=C1C(=O)CCC2 |c:20,t:16|
Show InChI InChI=1S/C21H25IN2O2/c1-12(2)11-14-19(21(26)24-16-8-5-4-7-15(16)22)13(3)23-17-9-6-10-18(25)20(14)17/h4-5,7-8,12,14,23H,6,9-11H2,1-3H3,(H,24,26)
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n/an/an/an/a 3.89E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell membrane assessed as stimulation of [35S]-GTPgammaS binding meas...


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


(Homo sapiens (Human))
BDBM50527497
PNG
(CHEMBL4516837)
Show SMILES CC1(CC1)C(O)=O
Show InChI InChI=1S/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)
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n/an/an/an/a 1.32E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell membrane assessed as stimulation of [35S]-GTPgammaS binding meas...


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


(Homo sapiens (Human))
BDBM50527495
PNG
(CHEMBL4451216)
Show SMILES CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(C)cc1)C(=O)Nc1ccccc1C |t:1,4|
Show InChI InChI=1S/C25H26N2O2/c1-15-11-13-18(14-12-15)23-22(25(29)27-19-8-5-4-7-16(19)2)17(3)26-20-9-6-10-21(28)24(20)23/h4-5,7-8,11-14,23,26H,6,9-10H2,1-3H3,(H,27,29)
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n/an/an/an/a 3.63E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


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


(Homo sapiens (Human))
BDBM50527474
PNG
(CHEMBL4567192)
Show SMILES COc1ccccc1NC(=O)C1=C(C)NC2=C(C1c1ccco1)C(=O)CCC2 |c:12,16|
Show InChI InChI=1S/C22H22N2O4/c1-13-19(22(26)24-14-7-3-4-10-17(14)27-2)21(18-11-6-12-28-18)20-15(23-13)8-5-9-16(20)25/h3-4,6-7,10-12,21,23H,5,8-9H2,1-2H3,(H,24,26)
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n/an/an/an/a 372n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


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


(Homo sapiens (Human))
BDBM50527496
PNG
(CHEMBL4560771)
Show SMILES CC(C)CC1C(C(=O)Nc2ccccc2I)=C(C)NC2=C1C(=O)CCC2 |c:20,t:16|
Show InChI InChI=1S/C21H25IN2O2/c1-12(2)11-14-19(21(26)24-16-8-5-4-7-15(16)22)13(3)23-17-9-6-10-18(25)20(14)17/h4-5,7-8,12,14,23H,6,9-11H2,1-3H3,(H,24,26)
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n/an/an/an/a 6.76E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


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


(Homo sapiens (Human))
BDBM50527498
PNG
(CHEMBL4473184)
Show SMILES CCC1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2 |c:18,t:14|
Show InChI InChI=1S/C20H24N2O2/c1-4-14-18(20(24)22-15-9-6-5-8-12(15)2)13(3)21-16-10-7-11-17(23)19(14)16/h5-6,8-9,14,21H,4,7,10-11H2,1-3H3,(H,22,24)
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n/an/an/an/a 4.17E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


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


(Homo sapiens (Human))
BDBM50527494
PNG
(CHEMBL4443269)
Show SMILES CC1=C(C(\C=C\c2ccccc2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C |t:1,13|
Show InChI InChI=1S/C26H26N2O2/c1-17-9-6-7-12-21(17)28-26(30)24-18(2)27-22-13-8-14-23(29)25(22)20(24)16-15-19-10-4-3-5-11-19/h3-7,9-12,15-16,20,27H,8,13-14H2,1-2H3,(H,28,30)/b16-15+
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n/an/an/an/a 4.57E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


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


(Homo sapiens (Human))
BDBM50527499
PNG
(CHEMBL4547569)
Show SMILES CC1=C(C(c2ccc(Br)o2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C |t:1,11|
Show InChI InChI=1S/C22H21BrN2O3/c1-12-6-3-4-7-14(12)25-22(27)19-13(2)24-15-8-5-9-16(26)20(15)21(19)17-10-11-18(23)28-17/h3-4,6-7,10-11,21,24H,5,8-9H2,1-2H3,(H,25,27)
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n/an/an/an/a 245n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


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


(Homo sapiens (Human))
BDBM50527500
PNG
(CHEMBL4470404)
Show SMILES CC1=C(C(c2cncs2)C2=C(CCCC2=O)N1)C(=O)Nc1cc(Cl)ccc1Cl |t:1,10|
Show InChI InChI=1S/C20H17Cl2N3O2S/c1-10-17(20(27)25-14-7-11(21)5-6-12(14)22)19(16-8-23-9-28-16)18-13(24-10)3-2-4-15(18)26/h5-9,19,24H,2-4H2,1H3,(H,25,27)
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n/an/an/an/a 1.78E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


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


(Homo sapiens (Human))
BDBM50527501
PNG
(CHEMBL4442868)
Show SMILES CC1=C(C(C2CC2)C2=C(CCCC2=O)N1)C(=O)Nc1cc(Cl)ccc1Cl |t:1,8|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-10-17(20(26)24-15-9-12(21)7-8-13(15)22)18(11-5-6-11)19-14(23-10)3-2-4-16(19)25/h7-9,11,18,23H,2-6H2,1H3,(H,24,26)
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n/an/an/an/a 251n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


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


(Homo sapiens (Human))
BDBM50082199
PNG
(CH3-CH2-COOH | CHEMBL14021 | Propionsaeure | acide...)
Show SMILES CCC(O)=O
Show InChI InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
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PubMed
n/an/an/an/a 1.17E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


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


(Homo sapiens (Human))
BDBM50527502
PNG
(CHEMBL4515057)
Show SMILES COC(=O)C1=C(C)NC(C)=C(C1CC(C)C)C(=O)Nc1ccccc1C |c:4,9|
Show InChI InChI=1S/C21H28N2O3/c1-12(2)11-16-18(14(4)22-15(5)19(16)21(25)26-6)20(24)23-17-10-8-7-9-13(17)3/h7-10,12,16,22H,11H2,1-6H3,(H,23,24)
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n/an/an/an/a 692n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of...


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


(Homo sapiens (Human))
BDBM50527503
PNG
(CHEMBL4567938)
Show SMILES CC1=C(C(CCc2ccccc2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C |t:1,13|
Show InChI InChI=1S/C26H28N2O2/c1-17-9-6-7-12-21(17)28-26(30)24-18(2)27-22-13-8-14-23(29)25(22)20(24)16-15-19-10-4-3-5-11-19/h3-7,9-12,20,27H,8,13-16H2,1-2H3,(H,28,30)
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n/an/an/an/a 589n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of...


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


(Rattus norvegicus)
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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n/an/an/an/a 457n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat 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


(Homo sapiens (Human))
BDBM50527480
PNG
(CHEMBL4446232)
Show SMILES CC1=C(C(C2=C(CCCC2=O)N1)c1cccc(c1)C(F)(F)F)C(=O)Nc1ccccc1C |t:1,4|
Show InChI InChI=1S/C25H23F3N2O2/c1-14-7-3-4-10-18(14)30-24(32)21-15(2)29-19-11-6-12-20(31)23(19)22(21)16-8-5-9-17(13-16)25(26,27)28/h3-5,7-10,13,22,29H,6,11-12H2,1-2H3,(H,30,32)
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n/an/an/an/a 1.55E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell membrane assessed as stimulation of [35S]-GTPgammaS binding meas...


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


(Homo sapiens (Human))
BDBM50527504
PNG
(CHEMBL4470372)
Show SMILES CC1=C(C(c2ccco2)C2=C(CCCC2=O)N1)C(=O)Nc1cccc(C)c1 |t:1,10|
Show InChI InChI=1S/C22H22N2O3/c1-13-6-3-7-15(12-13)24-22(26)19-14(2)23-16-8-4-9-17(25)20(16)21(19)18-10-5-11-27-18/h3,5-7,10-12,21,23H,4,8-9H2,1-2H3,(H,24,26)
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n/an/an/an/a 4.57E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell membrane assessed as stimulation of [35S]-GTPgammaS binding meas...


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


(Homo sapiens (Human))
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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n/an/an/an/a 1.82E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell membrane assessed as stimulation of [35S]-GTPgammaS binding meas...


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
3D
3D Structure (crystal)
Free fatty acid receptor 3


(Homo sapiens (Human))
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 525n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


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


(Homo sapiens (Human))
BDBM50527471
PNG
(CHEMBL4473169)
Show SMILES CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1ccccc1C |t:1,4|
Show InChI InChI=1S/C25H23F3N2O2/c1-14-6-3-4-7-18(14)30-24(32)21-15(2)29-19-8-5-9-20(31)23(19)22(21)16-10-12-17(13-11-16)25(26,27)28/h3-4,6-7,10-13,22,29H,5,8-9H2,1-2H3,(H,30,32)
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n/an/an/an/a 4.90E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


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


(Homo sapiens (Human))
BDBM50527462
PNG
(CHEMBL4452922)
Show SMILES CC(C)CC1C(C(=O)Nc2ccccc2Cl)=C(C)NC2=C1C(=O)CCC2 |c:20,t:16|
Show InChI InChI=1S/C21H25ClN2O2/c1-12(2)11-14-19(21(26)24-16-8-5-4-7-15(16)22)13(3)23-17-9-6-10-18(25)20(14)17/h4-5,7-8,12,14,23H,6,9-11H2,1-3H3,(H,24,26)
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n/an/an/an/a 708n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


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


(Homo sapiens (Human))
BDBM50527505
PNG
(CHEMBL4513816)
Show SMILES CC1=C(C(C2CCCC2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C |t:1,10|
Show InChI InChI=1S/C23H28N2O2/c1-14-8-3-6-11-17(14)25-23(27)20-15(2)24-18-12-7-13-19(26)22(18)21(20)16-9-4-5-10-16/h3,6,8,11,16,21,24H,4-5,7,9-10,12-13H2,1-2H3,(H,25,27)
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n/an/an/an/a 288n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


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


(Homo sapiens (Human))
BDBM50527503
PNG
(CHEMBL4567938)
Show SMILES CC1=C(C(CCc2ccccc2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C |t:1,13|
Show InChI InChI=1S/C26H28N2O2/c1-17-9-6-7-12-21(17)28-26(30)24-18(2)27-22-13-8-14-23(29)25(22)20(24)16-15-19-10-4-3-5-11-19/h3-7,9-12,20,27H,8,13-16H2,1-2H3,(H,28,30)
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n/an/an/an/a 6.17E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


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


(Homo sapiens (Human))
BDBM50527506
PNG
(CHEMBL4579352)
Show SMILES CC1=C(C(c2cscn2)C2=C(CCCC2=O)N1)C(=O)Nc1cc(Cl)ccc1Cl |t:1,10|
Show InChI InChI=1S/C20H17Cl2N3O2S/c1-10-17(20(27)25-14-7-11(21)5-6-12(14)22)19(15-8-28-9-23-15)18-13(24-10)3-2-4-16(18)26/h5-9,19,24H,2-4H2,1H3,(H,25,27)
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n/an/an/an/a 1.95E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


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


(Homo sapiens (Human))
BDBM50527507
PNG
(CHEMBL4476587)
Show SMILES CCCC1C(C(=O)Nc2cc(OC)ccc2Cl)=C(C)NC2=C1C(=O)CCC2 |c:21,t:17|
Show InChI InChI=1S/C21H25ClN2O3/c1-4-6-14-19(12(2)23-16-7-5-8-18(25)20(14)16)21(26)24-17-11-13(27-3)9-10-15(17)22/h9-11,14,23H,4-8H2,1-3H3,(H,24,26)
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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 human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


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


(Homo sapiens (Human))
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 537n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of...


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


(Homo sapiens (Human))
BDBM50527508
PNG
(CHEMBL4470725)
Show SMILES COC(=O)C1=C(C)NC2=C(C1CC(C)C)C(=O)CCC2 |c:4,8|
Show InChI InChI=1S/C16H23NO3/c1-9(2)8-11-14(16(19)20-4)10(3)17-12-6-5-7-13(18)15(11)12/h9,11,17H,5-8H2,1-4H3
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n/an/an/an/a 617n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of...


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


(Homo sapiens (Human))
BDBM50527479
PNG
(CHEMBL4517214)
Show SMILES CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(Br)cc1)C(=O)Nc1ccccc1C |t:1,4|
Show InChI InChI=1S/C24H23BrN2O2/c1-14-6-3-4-7-18(14)27-24(29)21-15(2)26-19-8-5-9-20(28)23(19)22(21)16-10-12-17(25)13-11-16/h3-4,6-7,10-13,22,26H,5,8-9H2,1-2H3,(H,27,29)
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n/an/an/an/a 3.72E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell membrane assessed as stimulation of [35S]-GTPgammaS binding meas...


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


(Homo sapiens (Human))
BDBM50527509
PNG
(CHEMBL4574477)
Show SMILES CC1=C(C(C2=C(CCCC2=O)N1)c1cccc(Br)c1)C(=O)Nc1ccccc1C |t:1,4|
Show InChI InChI=1S/C24H23BrN2O2/c1-14-7-3-4-10-18(14)27-24(29)21-15(2)26-19-11-6-12-20(28)23(19)22(21)16-8-5-9-17(25)13-16/h3-5,7-10,13,22,26H,6,11-12H2,1-2H3,(H,27,29)
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n/an/an/an/a 1.35E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


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
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