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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50041945   
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 1


(Homo sapiens (Human))
BDBM50339476
PNG
(3-{4-[(2',6'-Dimethylbiphenyl-3-yl)methoxy]-2-fluo...)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C24H23FO3/c1-16-5-3-6-17(2)24(16)20-8-4-7-18(13-20)15-28-21-11-9-19(22(25)14-21)10-12-23(26)27/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,26,27)
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n/an/an/an/a 6.03n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419174
PNG
(CHEMBL1829157)
Show SMILES Cc1cc(ccn1)C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C17H15NO2/c1-13-12-16(10-11-18-13)7-6-14-2-4-15(5-3-14)8-9-17(19)20/h2-5,10-12H,8-9H2,1H3,(H,19,20)
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n/an/an/an/a 1.12E+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 assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50306384
PNG
(5-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)...)
Show SMILES Cc1cc(Oc2ncc(cc2Cl)C(F)(F)F)ccc1Cc1sc(=O)[nH]c1O
Show InChI InChI=1S/C17H12ClF3N2O3S/c1-8-4-11(3-2-9(8)5-13-14(24)23-16(25)27-13)26-15-12(18)6-10(7-22-15)17(19,20)21/h2-4,6-7,24H,5H2,1H3,(H,23,25)
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n/an/an/an/a 87.1n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50343141
PNG
(3-(4(2'-Methylbiphenyl-3-ylmethylamino)phenyl)prop...)
Show SMILES Cc1ccccc1-c1cccc(CNc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C23H23NO2/c1-17-5-2-3-8-22(17)20-7-4-6-19(15-20)16-24-21-12-9-18(10-13-21)11-14-23(25)26/h2-10,12-13,15,24H,11,14,16H2,1H3,(H,25,26)
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n/an/an/an/a 18.6n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419143
PNG
(CHEMBL389699)
Show SMILES CC[C@H](C)COc1ccc(cc1)C(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C20H24O3/c1-3-15(2)14-23-18-11-9-17(10-12-18)19(13-20(21)22)16-7-5-4-6-8-16/h4-12,15,19H,3,13-14H2,1-2H3,(H,21,22)/t15-,19?/m0/s1
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n/an/an/an/a 302n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 47.9n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419144
PNG
(CHEMBL1829172)
Show SMILES OC(=O)C1CC1c1ccc(cc1)C#Cc1cc(Cl)nc(Cl)c1
Show InChI InChI=1S/C17H11Cl2NO2/c18-15-7-11(8-16(19)20-15)2-1-10-3-5-12(6-4-10)13-9-14(13)17(21)22/h3-8,13-14H,9H2,(H,21,22)
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n/an/an/an/a 42.7n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419145
PNG
(CHEMBL1829171)
Show SMILES Cc1c(Cl)nc(Cl)cc1C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C17H13Cl2NO2/c1-11-14(10-15(18)20-17(11)19)8-6-12-2-4-13(5-3-12)7-9-16(21)22/h2-5,10H,7,9H2,1H3,(H,21,22)
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n/an/an/an/a 43.6n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419146
PNG
(CHEMBL1829170)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1cc(Cl)nc(Cl)c1
Show InChI InChI=1S/C16H11Cl2NO2/c17-14-9-13(10-15(18)19-14)6-5-11-1-3-12(4-2-11)7-8-16(20)21/h1-4,9-10H,7-8H2,(H,20,21)
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n/an/an/an/a 40.7n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419147
PNG
(CHEMBL1829169)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C20H14ClNO2/c21-17-8-9-18-16(11-12-22-19(18)13-17)7-5-14-1-3-15(4-2-14)6-10-20(23)24/h1-4,8-9,11-13H,6,10H2,(H,23,24)
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n/an/an/an/a 79.4n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419148
PNG
(CHEMBL1829168)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1ccnc(Cl)c1Cc1ccccc1
Show InChI InChI=1S/C23H18ClNO2/c24-23-21(16-19-4-2-1-3-5-19)20(14-15-25-23)12-10-17-6-8-18(9-7-17)11-13-22(26)27/h1-9,14-15H,11,13,16H2,(H,26,27)
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n/an/an/an/a 794n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419149
PNG
(CHEMBL1829167)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1ccnc(Cl)c1CC=C
Show InChI InChI=1S/C19H16ClNO2/c1-2-3-17-16(12-13-21-19(17)20)10-8-14-4-6-15(7-5-14)9-11-18(22)23/h2,4-7,12-13H,1,3,9,11H2,(H,22,23)
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n/an/an/an/a 316n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419150
PNG
(CHEMBL1829166)
Show SMILES Cc1c(Cl)nccc1C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C17H14ClNO2/c1-12-15(10-11-19-17(12)18)8-6-13-2-4-14(5-3-13)7-9-16(20)21/h2-5,10-11H,7,9H2,1H3,(H,20,21)
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n/an/an/an/a 135n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419151
PNG
(CHEMBL1829165)
Show SMILES Cc1c(F)nccc1C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C17H14FNO2/c1-12-15(10-11-19-17(12)18)8-6-13-2-4-14(5-3-13)7-9-16(20)21/h2-5,10-11H,7,9H2,1H3,(H,20,21)
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n/an/an/an/a 120n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419152
PNG
(CHEMBL1829164)
Show SMILES Cc1cnc(F)cc1C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C17H14FNO2/c1-12-11-19-16(18)10-15(12)8-6-13-2-4-14(5-3-13)7-9-17(20)21/h2-5,10-11H,7,9H2,1H3,(H,20,21)
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n/an/an/an/a 178n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419153
PNG
(CHEMBL1829163)
Show SMILES Cc1ccccc1-c1cc(ccn1)C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C23H19NO2/c1-17-4-2-3-5-21(17)22-16-20(14-15-24-22)11-10-18-6-8-19(9-7-18)12-13-23(25)26/h2-9,14-16H,12-13H2,1H3,(H,25,26)
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n/an/an/an/a 1.07E+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 assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419154
PNG
(CHEMBL1829161)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1ccnc(Oc2ccccc2)c1
Show InChI InChI=1S/C22H17NO3/c24-22(25)13-12-18-8-6-17(7-9-18)10-11-19-14-15-23-21(16-19)26-20-4-2-1-3-5-20/h1-9,14-16H,12-13H2,(H,24,25)
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n/an/an/an/a 479n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419155
PNG
(CHEMBL1829160)
Show SMILES COc1cc(ccn1)C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C17H15NO3/c1-21-16-12-15(10-11-18-16)7-6-13-2-4-14(5-3-13)8-9-17(19)20/h2-5,10-12H,8-9H2,1H3,(H,19,20)
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n/an/an/an/a 525n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419156
PNG
(CHEMBL1829159)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1ccnc(Cl)c1
Show InChI InChI=1S/C16H12ClNO2/c17-15-11-14(9-10-18-15)6-5-12-1-3-13(4-2-12)7-8-16(19)20/h1-4,9-11H,7-8H2,(H,19,20)
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n/an/an/an/a 295n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419157
PNG
(CHEMBL1829158)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1ccnc(F)c1
Show InChI InChI=1S/C16H12FNO2/c17-15-11-14(9-10-18-15)6-5-12-1-3-13(4-2-12)7-8-16(19)20/h1-4,9-11H,7-8H2,(H,19,20)
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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 assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50275597
PNG
(3-(4-(o-Tolylethynyl)phenyl)propanoic acid | CHEMB...)
Show SMILES Cc1ccccc1C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C18H16O2/c1-14-4-2-3-5-17(14)12-10-15-6-8-16(9-7-15)11-13-18(19)20/h2-9H,11,13H2,1H3,(H,19,20)
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n/an/an/an/a 45.7n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419158
PNG
(CHEMBL1829156)
Show SMILES Cc1ccsc1C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C16H14O2S/c1-12-10-11-19-15(12)8-6-13-2-4-14(5-3-13)7-9-16(17)18/h2-5,10-11H,7,9H2,1H3,(H,17,18)
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n/an/an/an/a 75.9n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419159
PNG
(CHEMBL1829155)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1cccs1
Show InChI InChI=1S/C15H12O2S/c16-15(17)10-8-13-5-3-12(4-6-13)7-9-14-2-1-11-18-14/h1-6,11H,8,10H2,(H,16,17)
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n/an/an/an/a 251n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419160
PNG
(CHEMBL1829154)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1cncs1
Show InChI InChI=1S/C14H11NO2S/c16-14(17)8-6-12-3-1-11(2-4-12)5-7-13-9-15-10-18-13/h1-4,9-10H,6,8H2,(H,16,17)
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n/an/an/an/a 3.89E+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 assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419161
PNG
(CHEMBL1829153)
Show SMILES Cc1cc(nc(Cl)n1)C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C16H13ClN2O2/c1-11-10-14(19-16(17)18-11)8-6-12-2-4-13(5-3-12)7-9-15(20)21/h2-5,10H,7,9H2,1H3,(H,20,21)
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n/an/an/an/a 2.75E+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 assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419162
PNG
(CHEMBL1829142)
Show SMILES Cc1cnc(Cl)nc1C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C16H13ClN2O2/c1-11-10-18-16(17)19-14(11)8-6-12-2-4-13(5-3-12)7-9-15(20)21/h2-5,10H,7,9H2,1H3,(H,20,21)
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n/an/an/an/a 4.27E+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 assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419163
PNG
(CHEMBL1829152)
Show SMILES COc1nccc(n1)C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C16H14N2O3/c1-21-16-17-11-10-14(18-16)8-6-12-2-4-13(5-3-12)7-9-15(19)20/h2-5,10-11H,7,9H2,1H3,(H,19,20)
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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 FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419164
PNG
(CHEMBL1829151)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1ccnc(Cl)n1
Show InChI InChI=1S/C15H11ClN2O2/c16-15-17-10-9-13(18-15)7-5-11-1-3-12(4-2-11)6-8-14(19)20/h1-4,9-10H,6,8H2,(H,19,20)
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n/an/an/an/a 9.12E+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 assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419165
PNG
(CHEMBL1829150)
Show SMILES Cc1cnc(F)c(c1)C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C17H14FNO2/c1-12-10-15(17(18)19-11-12)8-6-13-2-4-14(5-3-13)7-9-16(20)21/h2-5,10-11H,7,9H2,1H3,(H,20,21)
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n/an/an/an/a 661n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419166
PNG
(CHEMBL1829149)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1ccc(Cl)nc1
Show InChI InChI=1S/C16H12ClNO2/c17-15-9-7-14(11-18-15)6-5-12-1-3-13(4-2-12)8-10-16(19)20/h1-4,7,9,11H,8,10H2,(H,19,20)
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n/an/an/an/a 708n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419167
PNG
(CHEMBL1829148)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1cccnc1Cl
Show InChI InChI=1S/C16H12ClNO2/c17-16-14(2-1-11-18-16)9-7-12-3-5-13(6-4-12)8-10-15(19)20/h1-6,11H,8,10H2,(H,19,20)
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n/an/an/an/a 603n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419168
PNG
(CHEMBL1829147)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1ncccc1[N+]([O-])=O
Show InChI InChI=1S/C16H12N2O4/c19-16(20)10-8-13-5-3-12(4-6-13)7-9-14-15(18(21)22)2-1-11-17-14/h1-6,11H,8,10H2,(H,19,20)
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n/an/an/an/a 1.10E+4n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419169
PNG
(CHEMBL1829145)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1ccncc1
Show InChI InChI=1S/C16H13NO2/c18-16(19)8-7-14-3-1-13(2-4-14)5-6-15-9-11-17-12-10-15/h1-4,9-12H,7-8H2,(H,18,19)
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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 FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419170
PNG
(CHEMBL1829144)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1cccnc1
Show InChI InChI=1S/C16H13NO2/c18-16(19)10-9-14-5-3-13(4-6-14)7-8-15-2-1-11-17-12-15/h1-6,11-12H,9-10H2,(H,18,19)
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n/an/an/an/a 6.03E+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 assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419171
PNG
(CHEMBL1829143)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1ccccn1
Show InChI InChI=1S/C16H13NO2/c18-16(19)11-9-14-6-4-13(5-7-14)8-10-15-3-1-2-12-17-15/h1-7,12H,9,11H2,(H,18,19)
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n/an/an/an/a 1.32E+4n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
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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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 assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419172
PNG
(CHEMBL1829162)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1ccnc(c1)-c1ccccc1
Show InChI InChI=1S/C22H17NO2/c24-22(25)13-12-18-8-6-17(7-9-18)10-11-19-14-15-23-21(16-19)20-4-2-1-3-5-20/h1-9,14-16H,12-13H2,(H,24,25)
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n/an/an/an/a 186n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50419173
PNG
(CHEMBL1829146)
Show SMILES Cc1cccc(n1)C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C17H15NO2/c1-13-3-2-4-16(18-13)11-9-14-5-7-15(8-6-14)10-12-17(19)20/h2-8H,10,12H2,1H3,(H,19,20)
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n/an/an/an/a 6.17E+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 assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50362690
PNG
(AMG-837 | CHEMBL1829173)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C26H21F3O3/c1-2-4-21(16-25(30)31)20-9-13-24(14-10-20)32-17-18-5-3-6-22(15-18)19-7-11-23(12-8-19)26(27,28)29/h3,5-15,21H,16-17H2,1H3,(H,30,31)/t21-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50386790
PNG
(CHEMBL1829174 | CHEMBL2047159 | TAK-875 | US119052...)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
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n/an/an/an/a 14.1n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


J Med Chem 54: 6691-703 (2011)


Article DOI: 10.1021/jm2005699
BindingDB Entry DOI: 10.7270/Q25T3MRW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)