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PubMed code 27647366

Compile data set for download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Free fatty acid receptor 3


(Homo sapiens (Human))		BDBM50200339
PNG
(CHEMBL3941821)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccc(F)cc3)CCO4)cc2)cc1
Show InChI InChI=1S/C33H38FNO4.ClH/c34-30-10-5-26(6-11-30)21-29-15-20-39-33(22-29)16-18-35(19-17-33)23-27-1-3-28(4-2-27)24-38-31-12-7-25(8-13-31)9-14-32(36)37;/h1-8,10-13,29H,9,14-24H2,(H,36,37);1H
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n/an/an/an/a>1.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200371
PNG
(CHEMBL3897454)
Show SMILES Cl.COC1CCOC2(CCN(Cc3ccc(COc4ccc(CCC(O)=O)cc4)cc3)CC2)C1
Show InChI InChI=1S/C27H35NO5.ClH/c1-31-25-12-17-33-27(18-25)13-15-28(16-14-27)19-22-2-4-23(5-3-22)20-32-24-9-6-21(7-10-24)8-11-26(29)30;/h2-7,9-10,25H,8,11-20H2,1H3,(H,29,30);1H
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n/an/an/an/a>2.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200369
PNG
(CHEMBL3915620)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1 |r,c:26|
Show InChI InChI=1S/C33H33NO3/c1-2-5-29(22-32(35)36)27-12-14-30(15-13-27)37-24-26-10-8-25(9-11-26)23-34-20-18-33(19-21-34)17-16-28-6-3-4-7-31(28)33/h3-4,6-17,29H,18-24H2,1H3,(H,35,36)/t29-/m0/s1
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n/an/an/an/a 233n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at FFA1 receptor (unknown origin)

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200373
PNG
(CHEMBL3921121)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCO4)OCc3ccc(F)cc3)cc2)cc1
Show InChI InChI=1S/C33H38FNO5.ClH/c34-29-10-5-28(6-11-29)24-39-31-15-20-40-33(21-31)16-18-35(19-17-33)22-26-1-3-27(4-2-26)23-38-30-12-7-25(8-13-30)9-14-32(36)37;/h1-8,10-13,31H,9,14-24H2,(H,36,37);1H
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n/an/an/an/a 2.01E+3n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM50200339
PNG
(CHEMBL3941821)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccc(F)cc3)CCO4)cc2)cc1
Show InChI InChI=1S/C33H38FNO4.ClH/c34-30-10-5-26(6-11-30)21-29-15-20-39-33(22-29)16-18-35(19-17-33)23-27-1-3-28(4-2-27)24-38-31-12-7-25(8-13-31)9-14-32(36)37;/h1-8,10-13,29H,9,14-24H2,(H,36,37);1H
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n/an/an/an/a>1.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA2 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200368
PNG
(CHEMBL3977112)
Show SMILES Cl.CCOC1CCOC2(CCN(Cc3ccc(COc4ccc(CCC(O)=O)cc4)cc3)CC2)C1
Show InChI InChI=1S/C28H37NO5.ClH/c1-2-32-26-13-18-34-28(19-26)14-16-29(17-15-28)20-23-3-5-24(6-4-23)21-33-25-10-7-22(8-11-25)9-12-27(30)31;/h3-8,10-11,26H,2,9,12-21H2,1H3,(H,30,31);1H
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n/an/an/an/a>2.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))		BDBM50200363
PNG
(CHEMBL3963542)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccccc3)CCO4)cc2)cc1
Show InChI InChI=1S/C33H39NO4.ClH/c35-32(36)15-12-26-10-13-31(14-11-26)37-25-29-8-6-28(7-9-29)24-34-19-17-33(18-20-34)23-30(16-21-38-33)22-27-4-2-1-3-5-27;/h1-11,13-14,30H,12,15-25H2,(H,35,36);1H
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n/an/an/an/a>1.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200374
PNG
(CHEMBL3976110)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccc(cc3)C(F)(F)F)CCO4)cc2)cc1
Show InChI InChI=1S/C34H38F3NO4.ClH/c35-34(36,37)30-10-5-26(6-11-30)21-29-15-20-42-33(22-29)16-18-38(19-17-33)23-27-1-3-28(4-2-27)24-41-31-12-7-25(8-13-31)9-14-32(39)40;/h1-8,10-13,29H,9,14-24H2,(H,39,40);1H
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n/an/an/an/a 1.27E+3n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM50200350
PNG
(CHEMBL3926143)
Show SMILES Cl.Cc1ccc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)cc1
Show InChI InChI=1S/C34H41NO4.ClH/c1-26-2-4-28(5-3-26)22-31-16-21-39-34(23-31)17-19-35(20-18-34)24-29-6-8-30(9-7-29)25-38-32-13-10-27(11-14-32)12-15-33(36)37;/h2-11,13-14,31H,12,15-25H2,1H3,(H,36,37);1H
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n/an/an/an/a>1.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA4 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200364
PNG
(CHEMBL3981866)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3cccc(F)c3)CCO4)cc2)cc1
Show InChI InChI=1S/C33H38FNO4.ClH/c34-30-3-1-2-28(21-30)20-29-14-19-39-33(22-29)15-17-35(18-16-33)23-26-4-6-27(7-5-26)24-38-31-11-8-25(9-12-31)10-13-32(36)37;/h1-9,11-12,21,29H,10,13-20,22-24H2,(H,36,37);1H
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n/an/an/an/a>2.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM50200363
PNG
(CHEMBL3963542)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccccc3)CCO4)cc2)cc1
Show InChI InChI=1S/C33H39NO4.ClH/c35-32(36)15-12-26-10-13-31(14-11-26)37-25-29-8-6-28(7-9-29)24-34-19-17-33(18-20-34)23-30(16-21-38-33)22-27-4-2-1-3-5-27;/h1-11,13-14,30H,12,15-25H2,(H,35,36);1H
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n/an/an/an/a>1.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA2 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200345
PNG
(CHEMBL3890182)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCO4)OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C33H39NO5.ClH/c35-32(36)15-12-26-10-13-30(14-11-26)37-25-29-8-6-27(7-9-29)23-34-19-17-33(18-20-34)22-31(16-21-39-33)38-24-28-4-2-1-3-5-28;/h1-11,13-14,31H,12,15-25H2,(H,35,36);1H
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n/an/an/an/a 1.16E+3n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200366
PNG
(CHEMBL3947508)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCO4)OCc3ccc(cc3)C(F)(F)F)cc2)cc1
Show InChI InChI=1S/C34H38F3NO5.ClH/c35-34(36,37)29-10-5-28(6-11-29)24-42-31-15-20-43-33(21-31)16-18-38(19-17-33)22-26-1-3-27(4-2-26)23-41-30-12-7-25(8-13-30)9-14-32(39)40;/h1-8,10-13,31H,9,14-24H2,(H,39,40);1H
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n/an/an/an/a>2.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200367
PNG
(CHEMBL3985181)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCO4)OCc3cccc(F)c3)cc2)cc1
Show InChI InChI=1S/C33H38FNO5.ClH/c34-29-3-1-2-28(20-29)24-39-31-14-19-40-33(21-31)15-17-35(18-16-33)22-26-4-6-27(7-5-26)23-38-30-11-8-25(9-12-30)10-13-32(36)37;/h1-9,11-12,20,31H,10,13-19,21-24H2,(H,36,37);1H
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n/an/an/an/a 1.30E+3n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200339
PNG
(CHEMBL3941821)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccc(F)cc3)CCO4)cc2)cc1
Show InChI InChI=1S/C33H38FNO4.ClH/c34-30-10-5-26(6-11-30)21-29-15-20-39-33(22-29)16-18-35(19-17-33)23-27-1-3-28(4-2-27)24-38-31-12-7-25(8-13-31)9-14-32(36)37;/h1-8,10-13,29H,9,14-24H2,(H,36,37);1H
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n/an/an/an/a 410n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM50200342
PNG
(CHEMBL3893207)
Show SMILES Cl.COc1ccc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)cc1
Show InChI InChI=1S/C34H41NO5.ClH/c1-38-31-11-8-27(9-12-31)22-30-16-21-40-34(23-30)17-19-35(20-18-34)24-28-2-4-29(5-3-28)25-39-32-13-6-26(7-14-32)10-15-33(36)37;/h2-9,11-14,30H,10,15-25H2,1H3,(H,36,37);1H
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n/an/an/an/a>1.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA4 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM50200342
PNG
(CHEMBL3893207)
Show SMILES Cl.COc1ccc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)cc1
Show InChI InChI=1S/C34H41NO5.ClH/c1-38-31-11-8-27(9-12-31)22-30-16-21-40-34(23-30)17-19-35(20-18-34)24-28-2-4-29(5-3-28)25-39-32-13-6-26(7-14-32)10-15-33(36)37;/h2-9,11-14,30H,10,15-25H2,1H3,(H,36,37);1H
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n/an/an/an/a>1.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA2 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))		BDBM50200342
PNG
(CHEMBL3893207)
Show SMILES Cl.COc1ccc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)cc1
Show InChI InChI=1S/C34H41NO5.ClH/c1-38-31-11-8-27(9-12-31)22-30-16-21-40-34(23-30)17-19-35(20-18-34)24-28-2-4-29(5-3-28)25-39-32-13-6-26(7-14-32)10-15-33(36)37;/h2-9,11-14,30H,10,15-25H2,1H3,(H,36,37);1H
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n/an/an/an/a>1.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200365
PNG
(CHEMBL3963641)
Show SMILES Cl.CC1CCOC2(CCN(Cc3ccc(COc4ccc(CCC(O)=O)cc4)cc3)CC2)C1
Show InChI InChI=1S/C27H35NO4.ClH/c1-21-12-17-32-27(18-21)13-15-28(16-14-27)19-23-2-4-24(5-3-23)20-31-25-9-6-22(7-10-25)8-11-26(29)30;/h2-7,9-10,21H,8,11-20H2,1H3,(H,29,30);1H
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n/an/an/an/a>2.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200372
PNG
(CHEMBL3964964)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3nc(no3)-c3cccnc3)CCO4)cc2)cc1
Show InChI InChI=1S/C34H38N4O5.ClH/c39-32(40)12-9-25-7-10-30(11-8-25)41-24-27-5-3-26(4-6-27)23-38-17-14-34(15-18-38)21-28(13-19-42-34)20-31-36-33(37-43-31)29-2-1-16-35-22-29;/h1-8,10-11,16,22,28H,9,12-15,17-21,23-24H2,(H,39,40);1H
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n/an/an/an/a>2.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200363
PNG
(CHEMBL3963542)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccccc3)CCO4)cc2)cc1
Show InChI InChI=1S/C33H39NO4.ClH/c35-32(36)15-12-26-10-13-31(14-11-26)37-25-29-8-6-28(7-9-29)24-34-19-17-33(18-20-34)23-30(16-21-38-33)22-27-4-2-1-3-5-27;/h1-11,13-14,30H,12,15-25H2,(H,35,36);1H
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n/an/an/an/a 55n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200370
PNG
(CHEMBL3896577)
Show SMILES Cl.COCCc1noc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)n1
Show InChI InChI=1S/C32H41N3O6.ClH/c1-38-18-13-29-33-30(41-34-29)20-27-12-19-40-32(21-27)14-16-35(17-15-32)22-25-2-4-26(5-3-25)23-39-28-9-6-24(7-10-28)8-11-31(36)37;/h2-7,9-10,27H,8,11-23H2,1H3,(H,36,37);1H
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n/an/an/an/a>2.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200350
PNG
(CHEMBL3926143)
Show SMILES Cl.Cc1ccc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)cc1
Show InChI InChI=1S/C34H41NO4.ClH/c1-26-2-4-28(5-3-26)22-31-16-21-39-34(23-31)17-19-35(20-18-34)24-29-6-8-30(9-7-29)25-38-32-13-10-27(11-14-32)12-15-33(36)37;/h2-11,13-14,31H,12,15-25H2,1H3,(H,36,37);1H
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n/an/an/an/a 77n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
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 23n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at FFA1 receptor (unknown origin)

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM50200339
PNG
(CHEMBL3941821)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccc(F)cc3)CCO4)cc2)cc1
Show InChI InChI=1S/C33H38FNO4.ClH/c34-30-10-5-26(6-11-30)21-29-15-20-39-33(22-29)16-18-35(19-17-33)23-27-1-3-28(4-2-27)24-38-31-12-7-25(8-13-31)9-14-32(36)37;/h1-8,10-13,29H,9,14-24H2,(H,36,37);1H
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n/an/an/an/a>1.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA4 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200342
PNG
(CHEMBL3893207)
Show SMILES Cl.COc1ccc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)cc1
Show InChI InChI=1S/C34H41NO5.ClH/c1-38-31-11-8-27(9-12-31)22-30-16-21-40-34(23-30)17-19-35(20-18-34)24-28-2-4-29(5-3-28)25-39-32-13-6-26(7-14-32)10-15-33(36)37;/h2-9,11-14,30H,10,15-25H2,1H3,(H,36,37);1H
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n/an/an/an/a 280n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200346
PNG
(CHEMBL3917858)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3nc(no3)C3CC3)CCO4)cc2)cc1
Show InChI InChI=1S/C32H39N3O5.ClH/c36-30(37)12-7-23-5-10-28(11-6-23)38-22-25-3-1-24(2-4-25)21-35-16-14-32(15-17-35)20-26(13-18-39-32)19-29-33-31(34-40-29)27-8-9-27;/h1-6,10-11,26-27H,7-9,12-22H2,(H,36,37);1H
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n/an/an/an/a 4.54E+3n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200348
PNG
(CHEMBL3898066)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccccc3F)CCO4)cc2)cc1
Show InChI InChI=1S/C33H38FNO4.ClH/c34-31-4-2-1-3-29(31)21-28-15-20-39-33(22-28)16-18-35(19-17-33)23-26-5-7-27(8-6-26)24-38-30-12-9-25(10-13-30)11-14-32(36)37;/h1-10,12-13,28H,11,14-24H2,(H,36,37);1H
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n/an/an/an/a 810n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200349
PNG
(CHEMBL3906447)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCO4)OCC3CC3)cc2)cc1
Show InChI InChI=1S/C30H39NO5.ClH/c32-29(33)12-9-23-7-10-27(11-8-23)34-21-25-3-1-24(2-4-25)20-31-16-14-30(15-17-31)19-28(13-18-36-30)35-22-26-5-6-26;/h1-4,7-8,10-11,26,28H,5-6,9,12-22H2,(H,32,33);1H
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n/an/an/an/a>2.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM50200350
PNG
(CHEMBL3926143)
Show SMILES Cl.Cc1ccc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)cc1
Show InChI InChI=1S/C34H41NO4.ClH/c1-26-2-4-28(5-3-26)22-31-16-21-39-34(23-31)17-19-35(20-18-34)24-29-6-8-30(9-7-29)25-38-32-13-10-27(11-14-32)12-15-33(36)37;/h2-11,13-14,31H,12,15-25H2,1H3,(H,36,37);1H
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n/an/an/an/a>1.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA2 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))		BDBM50200350
PNG
(CHEMBL3926143)
Show SMILES Cl.Cc1ccc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)cc1
Show InChI InChI=1S/C34H41NO4.ClH/c1-26-2-4-28(5-3-26)22-31-16-21-39-34(23-31)17-19-35(20-18-34)24-29-6-8-30(9-7-29)25-38-32-13-10-27(11-14-32)12-15-33(36)37;/h2-11,13-14,31H,12,15-25H2,1H3,(H,36,37);1H
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n/an/an/an/a>1.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM50200363
PNG
(CHEMBL3963542)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccccc3)CCO4)cc2)cc1
Show InChI InChI=1S/C33H39NO4.ClH/c35-32(36)15-12-26-10-13-31(14-11-26)37-25-29-8-6-28(7-9-29)24-34-19-17-33(18-20-34)23-30(16-21-38-33)22-27-4-2-1-3-5-27;/h1-11,13-14,30H,12,15-25H2,(H,35,36);1H
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n/an/an/an/a>1.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA4 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50200362
PNG
(CHEMBL3924606)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CCCCO4)CC3)cc2)cc1
Show InChI InChI=1S/C26H33NO4/c28-25(29)12-9-21-7-10-24(11-8-21)30-20-23-5-3-22(4-6-23)19-27-16-14-26(15-17-27)13-1-2-18-31-26/h3-8,10-11H,1-2,9,12-20H2,(H,28,29)
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n/an/an/an/a>2.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay

Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%