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PubMed code 26482570

Compile data set for download or QSAR
Found 9 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 1


(Homo sapiens (Human))		BDBM50129137
PNG
(CHEMBL3628756)
Show SMILES CCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C25H25FO5/c1-4-29-21-10-16(2)25(17(3)11-21)19-7-5-6-18(12-19)14-30-20-8-9-23(22(26)13-20)31-15-24(27)28/h5-13H,4,14-15H2,1-3H3,(H,27,28)
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n/an/an/an/a 66n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as increase in intracellular calcium flux by FLIPR assay

Bioorg Med Chem 23: 7158-64 (2015)


Article DOI: 10.1016/j.bmc.2015.10.011
BindingDB Entry DOI: 10.7270/Q2WW7KH2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50129139
PNG
(CHEMBL3628762)
Show SMILES Cc1cc(O)cc(C)c1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C23H21FO5/c1-14-8-18(25)9-15(2)23(14)17-5-3-4-16(10-17)12-28-19-6-7-21(20(24)11-19)29-13-22(26)27/h3-11,25H,12-13H2,1-2H3,(H,26,27)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as increase in intracellular calcium flux by FLIPR assay

Bioorg Med Chem 23: 7158-64 (2015)


Article DOI: 10.1016/j.bmc.2015.10.011
BindingDB Entry DOI: 10.7270/Q2WW7KH2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50040875
PNG
(CHEMBL3353742)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C27H29FO7S/c1-18-12-23(33-10-5-11-36(3,31)32)13-19(2)27(18)21-7-4-6-20(14-21)16-34-22-8-9-25(24(28)15-22)35-17-26(29)30/h4,6-9,12-15H,5,10-11,16-17H2,1-3H3,(H,29,30)
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n/an/an/an/a 62n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as increase in intracellular calcium flux by FLIPR assay

Bioorg Med Chem 23: 7158-64 (2015)


Article DOI: 10.1016/j.bmc.2015.10.011
BindingDB Entry DOI: 10.7270/Q2WW7KH2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50129140
PNG
(CHEMBL3628763)
Show SMILES COCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C26H27FO6/c1-17-11-22(31-10-9-30-3)12-18(2)26(17)20-6-4-5-19(13-20)15-32-21-7-8-24(23(27)14-21)33-16-25(28)29/h4-8,11-14H,9-10,15-16H2,1-3H3,(H,28,29)
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n/an/an/an/a 104n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as increase in intracellular calcium flux by FLIPR assay

Bioorg Med Chem 23: 7158-64 (2015)


Article DOI: 10.1016/j.bmc.2015.10.011
BindingDB Entry DOI: 10.7270/Q2WW7KH2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50129142
PNG
(CHEMBL3629049)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C26H27FO7S/c1-18-13-21(32-11-4-12-35(2,30)31)7-9-23(18)20-6-3-5-19(14-20)16-33-22-8-10-25(24(27)15-22)34-17-26(28)29/h3,5-10,13-15H,4,11-12,16-17H2,1-2H3,(H,28,29)
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n/an/an/an/a 44n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as increase in intracellular calcium flux by FLIPR assay

Bioorg Med Chem 23: 7158-64 (2015)


Article DOI: 10.1016/j.bmc.2015.10.011
BindingDB Entry DOI: 10.7270/Q2WW7KH2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50129138
PNG
(CHEMBL3628755)
Show SMILES COc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C24H23FO5/c1-15-9-20(28-3)10-16(2)24(15)18-6-4-5-17(11-18)13-29-19-7-8-22(21(25)12-19)30-14-23(26)27/h4-12H,13-14H2,1-3H3,(H,26,27)
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n/an/an/an/a 50n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as increase in intracellular calcium flux by FLIPR assay

Bioorg Med Chem 23: 7158-64 (2015)


Article DOI: 10.1016/j.bmc.2015.10.011
BindingDB Entry DOI: 10.7270/Q2WW7KH2
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 30n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as increase in intracellular calcium flux by FLIPR assay

Bioorg Med Chem 23: 7158-64 (2015)


Article DOI: 10.1016/j.bmc.2015.10.011
BindingDB Entry DOI: 10.7270/Q2WW7KH2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50129141
PNG
(CHEMBL3629046)
Show SMILES Cc1cc(OCCCO)cc(C)c1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C26H27FO6/c1-17-11-22(31-10-4-9-28)12-18(2)26(17)20-6-3-5-19(13-20)15-32-21-7-8-24(23(27)14-21)33-16-25(29)30/h3,5-8,11-14,28H,4,9-10,15-16H2,1-2H3,(H,29,30)
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n/an/an/an/a 110n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as increase in intracellular calcium flux by FLIPR assay

Bioorg Med Chem 23: 7158-64 (2015)


Article DOI: 10.1016/j.bmc.2015.10.011
BindingDB Entry DOI: 10.7270/Q2WW7KH2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50129136
PNG
(CHEMBL3628757)
Show SMILES CCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C26H27FO5/c1-4-10-30-22-11-17(2)26(18(3)12-22)20-7-5-6-19(13-20)15-31-21-8-9-24(23(27)14-21)32-16-25(28)29/h5-9,11-14H,4,10,15-16H2,1-3H3,(H,28,29)
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n/an/an/an/a 106n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as increase in intracellular calcium flux by FLIPR assay

Bioorg Med Chem 23: 7158-64 (2015)


Article DOI: 10.1016/j.bmc.2015.10.011
BindingDB Entry DOI: 10.7270/Q2WW7KH2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%