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PubMed code 22217876

Compile data set for download or QSAR
Found 21 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


(Mus musculus)
BDBM50362690
PNG
(CHEMBL1829173)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1
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 13n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR40


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362708
PNG
(CHEMBL1938409)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H20O3/c1-2-7-20(17-24(25)26)19-12-14-22(15-13-19)27-23-11-6-10-21(16-23)18-8-4-3-5-9-18/h3-6,8-16,20H,17H2,1H3,(H,25,26)
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n/an/an/an/a 360n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362700
PNG
(CHEMBL1939646)
Show SMILES CC#CC(CC(O)=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H18O3/c1-2-6-17(13-19(20)21)16-9-11-18(12-10-16)22-14-15-7-4-3-5-8-15/h3-5,7-12,17H,13-14H2,1H3,(H,20,21)
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n/an/an/an/a 620n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362702
PNG
(CHEMBL1939648)
Show SMILES CC#CC(CC(O)=O)c1ccc(OCc2ccc(C)cc2)cc1
Show InChI InChI=1S/C20H20O3/c1-3-4-18(13-20(21)22)17-9-11-19(12-10-17)23-14-16-7-5-15(2)6-8-16/h5-12,18H,13-14H2,1-2H3,(H,21,22)
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n/an/an/an/a 180n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362694
PNG
(CHEMBL1939640)
Show SMILES COc1ccc(COc2ccc(cc2)C(CC(O)=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H21FO4/c1-27-20-10-2-16(3-11-20)15-28-21-12-6-18(7-13-21)22(14-23(25)26)17-4-8-19(24)9-5-17/h2-13,22H,14-15H2,1H3,(H,25,26)
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n/an/an/an/a 580n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362695
PNG
(CHEMBL1939641)
Show SMILES COc1ccc(COc2ccc(cc2)C(CC(O)=O)C=C(C)C)cc1
Show InChI InChI=1S/C21H24O4/c1-15(2)12-18(13-21(22)23)17-6-10-20(11-7-17)25-14-16-4-8-19(24-3)9-5-16/h4-12,18H,13-14H2,1-3H3,(H,22,23)
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n/an/an/an/a 120n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362705
PNG
(CHEMBL1939651)
Show SMILES CC#CC(CC(O)=O)c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H22O3/c1-2-6-23(17-25(26)27)22-13-15-24(16-14-22)28-18-19-9-11-21(12-10-19)20-7-4-3-5-8-20/h3-5,7-16,23H,17-18H2,1H3,(H,26,27)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362706
PNG
(CHEMBL1939652)
Show SMILES CC#CC(CC(O)=O)c1ccc(OCc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C25H22O3/c1-2-8-21(17-25(26)27)19-13-15-23(16-14-19)28-18-22-11-6-7-12-24(22)20-9-4-3-5-10-20/h3-7,9-16,21H,17-18H2,1H3,(H,26,27)
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n/an/an/an/a 240n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362691
PNG
(CHEMBL1939637)
Show SMILES COc1ccc(COc2ccc(CCC(O)=O)cc2)cc1
Show InChI InChI=1S/C17H18O4/c1-20-15-7-4-14(5-8-15)12-21-16-9-2-13(3-10-16)6-11-17(18)19/h2-5,7-10H,6,11-12H2,1H3,(H,18,19)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362696
PNG
(CHEMBL1939642)
Show SMILES COc1ccc(COc2ccc(cc2)C(CC(O)=O)=C(C)C)cc1
Show InChI InChI=1S/C20H22O4/c1-14(2)19(12-20(21)22)16-6-10-18(11-7-16)24-13-15-4-8-17(23-3)9-5-15/h4-11H,12-13H2,1-3H3,(H,21,22)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362704
PNG
(CHEMBL1939650)
Show SMILES COc1cccc(COc2ccc(cc2)C(CC(O)=O)C#CC)c1
Show InChI InChI=1S/C20H20O4/c1-3-5-17(13-20(21)22)16-8-10-18(11-9-16)24-14-15-6-4-7-19(12-15)23-2/h4,6-12,17H,13-14H2,1-2H3,(H,21,22)
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n/an/an/an/a 110n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362693
PNG
(CHEMBL1939639)
Show SMILES COc1ccc(COc2ccc(cc2)C(CC(O)=O)C=C)cc1
Show InChI InChI=1S/C19H20O4/c1-3-15(12-19(20)21)16-6-10-18(11-7-16)23-13-14-4-8-17(22-2)9-5-14/h3-11,15H,1,12-13H2,2H3,(H,20,21)
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n/an/an/an/a 900n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362690
PNG
(CHEMBL1829173)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1
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 25n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362707
PNG
(CHEMBL1939653)
Show SMILES CC#CC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H22O3/c1-2-7-22(17-25(26)27)21-12-14-24(15-13-21)28-18-19-8-6-11-23(16-19)20-9-4-3-5-10-20/h3-6,8-16,22H,17-18H2,1H3,(H,26,27)
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n/an/an/an/a 58n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50362690
PNG
(CHEMBL1829173)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1
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



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362698
PNG
(CHEMBL1939644)
Show SMILES COc1ccc(COc2ccc(cc2)[C@@H](CC(O)=O)C#CC)cc1
Show InChI InChI=1S/C20H20O4/c1-3-4-17(13-20(21)22)16-7-11-19(12-8-16)24-14-15-5-9-18(23-2)10-6-15/h5-12,17H,13-14H2,1-2H3,(H,21,22)/t17-/m1/s1
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n/an/an/an/a 6.70E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362699
PNG
(CHEMBL1939645)
Show SMILES COc1ccc(COc2ccc(cc2)[C@H](CC(O)=O)C#CC)cc1
Show InChI InChI=1S/C20H20O4/c1-3-4-17(13-20(21)22)16-7-11-19(12-8-16)24-14-15-5-9-18(23-2)10-6-15/h5-12,17H,13-14H2,1-2H3,(H,21,22)/t17-/m0/s1
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n/an/an/an/a 64n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362701
PNG
(CHEMBL1939647)
Show SMILES CC#CC(CC(O)=O)c1ccc(OCCc2ccccc2)cc1
Show InChI InChI=1S/C20H20O3/c1-2-6-18(15-20(21)22)17-9-11-19(12-10-17)23-14-13-16-7-4-3-5-8-16/h3-5,7-12,18H,13-15H2,1H3,(H,21,22)
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n/an/an/an/a 6.20E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362703
PNG
(CHEMBL1939649)
Show SMILES CC#CC(CC(O)=O)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H17F3O3/c1-2-3-16(12-19(24)25)15-6-10-18(11-7-15)26-13-14-4-8-17(9-5-14)20(21,22)23/h4-11,16H,12-13H2,1H3,(H,24,25)
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n/an/an/an/a 2.70E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362697
PNG
(CHEMBL1939643)
Show SMILES COc1ccc(COc2ccc(cc2)C(CC(O)=O)C#CC)cc1
Show InChI InChI=1S/C20H20O4/c1-3-4-17(13-20(21)22)16-7-11-19(12-8-16)24-14-15-5-9-18(23-2)10-6-15/h5-12,17H,13-14H2,1-2H3,(H,21,22)
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n/an/an/an/a 260n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362692
PNG
(CHEMBL1939638)
Show SMILES CCC(CC(O)=O)c1ccc(OCc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C19H22O4/c1-3-15(12-19(20)21)16-6-10-18(11-7-16)23-13-14-4-8-17(22-2)9-5-14/h4-11,15H,3,12-13H2,1-2H3,(H,20,21)
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PubMed
n/an/an/an/a 3.20E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%