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Compile Data Set for Download or QSAR

Found 132 hits with Last Name = 'cawthorne' and Initial = 'ma'   
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
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50287729
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES CN(CCOc1ccc(CC(Oc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C25H24N2O5/c1-27(25-26-21-9-5-6-10-22(21)32-25)15-16-30-19-13-11-18(12-14-19)17-23(24(28)29)31-20-7-3-2-4-8-20/h2-14,23H,15-17H2,1H3,(H,28,29)
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Article
0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085043
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES CCOC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(O)=O
Show InChI InChI=1S/C21H24N2O5/c1-3-26-19(20(24)25)14-15-8-10-16(11-9-15)27-13-12-23(2)21-22-17-6-4-5-7-18(17)28-21/h4-11,19H,3,12-14H2,1-2H3,(H,24,25)
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Article
2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085043
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES CCOC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(O)=O
Show InChI InChI=1S/C21H24N2O5/c1-3-26-19(20(24)25)14-15-8-10-16(11-9-15)27-13-12-23(2)21-22-17-6-4-5-7-18(17)28-21/h4-11,19H,3,12-14H2,1-2H3,(H,24,25)
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Article
2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2127-2130 (1996)


Article DOI: 10.1016/0960-894X(96)00382-4
BindingDB Entry DOI: 10.7270/Q2J1034Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50287732
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES COC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(O)=O
Show InChI InChI=1S/C20H22N2O5/c1-22(20-21-16-5-3-4-6-17(16)27-20)11-12-26-15-9-7-14(8-10-15)13-18(25-2)19(23)24/h3-10,18H,11-13H2,1-2H3,(H,23,24)
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Article
15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50049244
PNG
(5-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-be...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C20H19N3O4S/c1-23(19-21-15-4-2-3-5-16(15)27-19)10-11-26-14-8-6-13(7-9-14)12-17-18(24)22-20(25)28-17/h2-9,24H,10-12H2,1H3,(H,22,25)
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Article
22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2127-2130 (1996)


Article DOI: 10.1016/0960-894X(96)00382-4
BindingDB Entry DOI: 10.7270/Q2J1034Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50049244
PNG
(5-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-be...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C20H19N3O4S/c1-23(19-21-15-4-2-3-5-16(15)27-19)10-11-26-14-8-6-13(7-9-14)12-17-18(24)22-20(25)28-17/h2-9,24H,10-12H2,1H3,(H,22,25)
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Article
22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50287733
PNG
(2-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-be...)
Show SMILES CN(CCOc1ccc(CC(CCCc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C28H30N2O4/c1-30(28-29-25-12-5-6-13-26(25)34-28)18-19-33-24-16-14-22(15-17-24)20-23(27(31)32)11-7-10-21-8-3-2-4-9-21/h2-6,8-9,12-17,23H,7,10-11,18-20H2,1H3,(H,31,32)
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Article
30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2127-2130 (1996)


Article DOI: 10.1016/0960-894X(96)00382-4
BindingDB Entry DOI: 10.7270/Q2J1034Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50287727
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES CN(CCOc1ccc(CC(Cl)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C19H19ClN2O4/c1-22(19-21-16-4-2-3-5-17(16)26-19)10-11-25-14-8-6-13(7-9-14)12-15(20)18(23)24/h2-9,15H,10-12H2,1H3,(H,23,24)
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Article
33n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50287730
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES CN(CCOc1ccc(CC(Sc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C25H24N2O4S/c1-27(25-26-21-9-5-6-10-22(21)31-25)15-16-30-19-13-11-18(12-14-19)17-23(24(28)29)32-20-7-3-2-4-8-20/h2-14,23H,15-17H2,1H3,(H,28,29)
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Article
37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50287728
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES COC(=O)C(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)SC
Show InChI InChI=1S/C21H24N2O4S/c1-23(21-22-17-6-4-5-7-18(17)27-21)12-13-26-16-10-8-15(9-11-16)14-19(28-3)20(24)25-2/h4-11,19H,12-14H2,1-3H3
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Article
600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50287734
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES CC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(O)=O
Show InChI InChI=1S/C20H22N2O4/c1-14(19(23)24)13-15-7-9-16(10-8-15)25-12-11-22(2)20-21-17-5-3-4-6-18(17)26-20/h3-10,14H,11-13H2,1-2H3,(H,23,24)
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Article
1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2127-2130 (1996)


Article DOI: 10.1016/0960-894X(96)00382-4
BindingDB Entry DOI: 10.7270/Q2J1034Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085045
PNG
(5-((4-((6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-...)
Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O
Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,26-27H,9-12H2,1-4H3,(H,25,28)
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Article
3.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50287731
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES COC(=O)CCc1ccc(OCCN(C)c2nc3ccccc3o2)cc1
Show InChI InChI=1S/C20H22N2O4/c1-22(20-21-17-5-3-4-6-18(17)26-20)13-14-25-16-10-7-15(8-11-16)9-12-19(23)24-2/h3-8,10-11H,9,12-14H2,1-2H3
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Article
6.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50240347
PNG
((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
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Article
PubMed
n/an/an/an/a 3.16E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50275510
PNG
(3-(4-(Phenylethynyl)phenyl)propanoic acid | CHEMBL...)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C17H14O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11H,12-13H2,(H,18,19)
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PubMed
n/an/an/an/a 200n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157566
PNG
(CHEMBL3785667)
Show SMILES OC(=O)CCc1ccc(cc1)C#C
Show InChI InChI=1S/C11H10O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h1,3-6H,7-8H2,(H,12,13)
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n/an/an/an/a<1.00E+5n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157567
PNG
(CHEMBL3785789)
Show SMILES CCCCCCCC#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)14-15-18(19)20/h10-13H,2-7,14-15H2,1H3,(H,19,20)
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PubMed
n/an/an/an/a 1.45E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157568
PNG
(CHEMBL3787580)
Show SMILES OC(=O)CCc1ccc(cc1)C#CCc1ccccc1
Show InChI InChI=1S/C18H16O2/c19-18(20)14-13-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12H,7,13-14H2,(H,19,20)
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PubMed
n/an/an/an/a 389n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157569
PNG
(CHEMBL3787151)
Show SMILES OC(=O)CCc1ccc(cc1)C#CCCc1ccccc1
Show InChI InChI=1S/C19H18O2/c20-19(21)15-14-18-12-10-17(11-13-18)9-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4,8,14-15H2,(H,20,21)
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PubMed
n/an/an/an/a 1.82E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157571
PNG
(CHEMBL3786964)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1CC1
Show InChI InChI=1S/C14H14O2/c15-14(16)10-9-13-7-5-12(6-8-13)4-3-11-1-2-11/h5-8,11H,1-2,9-10H2,(H,15,16)
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n/an/an/an/a 5.01E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157600
PNG
(CHEMBL3787110)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1CCCC1
Show InChI InChI=1S/C16H18O2/c17-16(18)12-11-15-9-7-14(8-10-15)6-5-13-3-1-2-4-13/h7-10,13H,1-4,11-12H2,(H,17,18)
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n/an/an/an/a 490n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157601
PNG
(CHEMBL3786418)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1CCCCC1
Show InChI InChI=1S/C17H20O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h8-11,14H,1-5,12-13H2,(H,18,19)
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n/an/an/an/a 513n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157602
PNG
(CHEMBL3787165)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C17H20O3/c18-16(19)9-8-14-4-6-15(7-5-14)10-13-17(20)11-2-1-3-12-17/h4-7,20H,1-3,8-9,11-12H2,(H,18,19)
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157603
PNG
(CHEMBL3786524)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1=CCCCC1 |t:14|
Show InChI InChI=1S/C17H18O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h4,8-11H,1-3,5,12-13H2,(H,18,19)
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n/an/an/an/a 200n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157613
PNG
(CHEMBL3785544)
Show SMILES CC(=C)C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C14H14O2/c1-11(2)3-4-12-5-7-13(8-6-12)9-10-14(15)16/h5-8H,1,9-10H2,2H3,(H,15,16)
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n/an/an/an/a 417n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157614
PNG
(CHEMBL3786972)
Show SMILES [#6]\[#6](-[#6])=[#6](\[#6])C#Cc1ccc(-[#6]-[#6]-[#6](-[#8])=O)cc1
Show InChI InChI=1S/C16H18O2/c1-12(2)13(3)4-5-14-6-8-15(9-7-14)10-11-16(17)18/h6-9H,10-11H2,1-3H3,(H,17,18)
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n/an/an/an/a 83n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157615
PNG
(CHEMBL3787463)
Show SMILES CC(=C)C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C14H13FO2/c1-10(2)3-4-11-5-6-12(13(15)9-11)7-8-14(16)17/h5-6,9H,1,7-8H2,2H3,(H,16,17)
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n/an/an/an/a 81n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157616
PNG
(CHEMBL3786526)
Show SMILES C\C=C\C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C14H13FO2/c1-2-3-4-5-11-6-7-12(13(15)10-11)8-9-14(16)17/h2-3,6-7,10H,8-9H2,1H3,(H,16,17)/b3-2+
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n/an/an/an/a 209n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157617
PNG
(CHEMBL3785764)
Show SMILES C\C=C(/C)C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C15H15FO2/c1-3-11(2)4-5-12-6-7-13(14(16)10-12)8-9-15(17)18/h3,6-7,10H,8-9H2,1-2H3,(H,17,18)/b11-3+
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n/an/an/an/a 37n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157618
PNG
(CHEMBL3785637)
Show SMILES C\C=C(\C)C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C15H15FO2/c1-3-11(2)4-5-12-6-7-13(14(16)10-12)8-9-15(17)18/h3,6-7,10H,8-9H2,1-2H3,(H,17,18)/b11-3-
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n/an/an/an/a 20n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157619
PNG
(CHEMBL3787072)
Show SMILES C\C=C/C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C14H13FO2/c1-2-3-4-5-11-6-7-12(13(15)10-11)8-9-14(16)17/h2-3,6-7,10H,8-9H2,1H3,(H,16,17)/b3-2-
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n/an/an/an/a 48n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157620
PNG
(CHEMBL3785413)
Show SMILES C\C(=C\CO)C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C15H15FO3/c1-11(8-9-17)2-3-12-4-5-13(14(16)10-12)6-7-15(18)19/h4-5,8,10,17H,6-7,9H2,1H3,(H,18,19)/b11-8-
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n/an/an/an/a 427n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50157618
PNG
(CHEMBL3785637)
Show SMILES C\C=C(\C)C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C15H15FO2/c1-3-11(2)4-5-12-6-7-13(14(16)10-12)8-9-15(17)18/h3,6-7,10H,8-9H2,1-2H3,(H,17,18)/b11-3-
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n/an/an/an/a 20n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50240347
PNG
((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
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n/an/an/an/a 3.00E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50275510
PNG
(3-(4-(Phenylethynyl)phenyl)propanoic acid | CHEMBL...)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C17H14O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11H,12-13H2,(H,18,19)
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n/an/an/an/a 8.51E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157566
PNG
(CHEMBL3785667)
Show SMILES OC(=O)CCc1ccc(cc1)C#C
Show InChI InChI=1S/C11H10O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h1,3-6H,7-8H2,(H,12,13)
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n/an/an/an/a<1.00E+5n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157567
PNG
(CHEMBL3785789)
Show SMILES CCCCCCCC#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)14-15-18(19)20/h10-13H,2-7,14-15H2,1H3,(H,19,20)
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n/an/an/an/a 4.07E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157568
PNG
(CHEMBL3787580)
Show SMILES OC(=O)CCc1ccc(cc1)C#CCc1ccccc1
Show InChI InChI=1S/C18H16O2/c19-18(20)14-13-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12H,7,13-14H2,(H,19,20)
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n/an/an/an/a 1.05E+4n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157569
PNG
(CHEMBL3787151)
Show SMILES OC(=O)CCc1ccc(cc1)C#CCCc1ccccc1
Show InChI InChI=1S/C19H18O2/c20-19(21)15-14-18-12-10-17(11-13-18)9-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4,8,14-15H2,(H,20,21)
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n/an/an/an/a 4.79E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157571
PNG
(CHEMBL3786964)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1CC1
Show InChI InChI=1S/C14H14O2/c15-14(16)10-9-13-7-5-12(6-8-13)4-3-11-1-2-11/h5-8,11H,1-2,9-10H2,(H,15,16)
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n/an/an/an/a<1.00E+5n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157600
PNG
(CHEMBL3787110)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1CCCC1
Show InChI InChI=1S/C16H18O2/c17-16(18)12-11-15-9-7-14(8-10-15)6-5-13-3-1-2-4-13/h7-10,13H,1-4,11-12H2,(H,17,18)
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n/an/an/an/a 3.39E+4n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157601
PNG
(CHEMBL3786418)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1CCCCC1
Show InChI InChI=1S/C17H20O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h8-11,14H,1-5,12-13H2,(H,18,19)
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n/an/an/an/a 9.55E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157602
PNG
(CHEMBL3787165)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C17H20O3/c18-16(19)9-8-14-4-6-15(7-5-14)10-13-17(20)11-2-1-3-12-17/h4-7,20H,1-3,8-9,11-12H2,(H,18,19)
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n/an/an/an/a<1.00E+5n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157603
PNG
(CHEMBL3786524)
Show SMILES OC(=O)CCc1ccc(cc1)C#CC1=CCCCC1 |t:14|
Show InChI InChI=1S/C17H18O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h4,8-11H,1-3,5,12-13H2,(H,18,19)
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n/an/an/an/a<1.00E+5n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157613
PNG
(CHEMBL3785544)
Show SMILES CC(=C)C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C14H14O2/c1-11(2)3-4-12-5-7-13(8-6-12)9-10-14(15)16/h5-8H,1,9-10H2,2H3,(H,15,16)
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n/an/an/an/a<1.00E+5n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157614
PNG
(CHEMBL3786972)
Show SMILES [#6]\[#6](-[#6])=[#6](\[#6])C#Cc1ccc(-[#6]-[#6]-[#6](-[#8])=O)cc1
Show InChI InChI=1S/C16H18O2/c1-12(2)13(3)4-5-14-6-8-15(9-7-14)10-11-16(17)18/h6-9H,10-11H2,1-3H3,(H,17,18)
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n/an/an/an/a 7.59E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157615
PNG
(CHEMBL3787463)
Show SMILES CC(=C)C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C14H13FO2/c1-10(2)3-4-11-5-6-12(13(15)9-11)7-8-14(16)17/h5-6,9H,1,7-8H2,2H3,(H,16,17)
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n/an/an/an/a<1.00E+5n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157616
PNG
(CHEMBL3786526)
Show SMILES C\C=C\C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C14H13FO2/c1-2-3-4-5-11-6-7-12(13(15)10-11)8-9-14(16)17/h2-3,6-7,10H,8-9H2,1H3,(H,16,17)/b3-2+
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n/an/an/an/a 3.47E+4n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157617
PNG
(CHEMBL3785764)
Show SMILES C\C=C(/C)C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C15H15FO2/c1-3-11(2)4-5-12-6-7-13(14(16)10-12)8-9-15(17)18/h3,6-7,10H,8-9H2,1-2H3,(H,17,18)/b11-3+
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n/an/an/an/a 2.63E+4n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50157618
PNG
(CHEMBL3785637)
Show SMILES C\C=C(\C)C#Cc1ccc(CCC(O)=O)c(F)c1
Show InChI InChI=1S/C15H15FO2/c1-3-11(2)4-5-12-6-7-13(14(16)10-12)8-9-15(17)18/h3,6-7,10H,8-9H2,1-2H3,(H,17,18)/b11-3-
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n/an/an/an/a 2.00E+4n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitmen...


J Med Chem 59: 2841-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01962
BindingDB Entry DOI: 10.7270/Q2PN97HD
More data for this
Ligand-Target Pair
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