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Compile Data Set for Download or QSAR

Found 167 hits with Last Name = 'toda' and Initial = 'n'   
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))
BDBM50339489
PNG
(3-{4-[(2',6'-Dimethylbiphenyl-3-yl)methoxy]phenyl}...)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C24H24O3/c1-17-5-3-6-18(2)24(17)21-8-4-7-20(15-21)16-27-22-12-9-19(10-13-22)11-14-23(25)26/h3-10,12-13,15H,11,14,16H2,1-2H3,(H,25,26)
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n/an/an/an/a 6.70n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019083
PNG
(CHEMBL3288344)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)cn2)c1
Show InChI InChI=1S/C23H23NO3/c1-16-5-3-6-17(2)23(16)20-8-4-7-19(13-20)15-27-21-11-9-18(14-24-21)10-12-22(25)26/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,25,26)
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n/an/an/an/a 3.5n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019084
PNG
(CHEMBL3288345)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)nc2)c1
Show InChI InChI=1S/C23H23NO3/c1-16-5-3-6-17(2)23(16)19-8-4-7-18(13-19)15-27-21-11-9-20(24-14-21)10-12-22(25)26/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,25,26)
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n/an/an/an/a 71n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019085
PNG
(CHEMBL3288346)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)s2)c1
Show InChI InChI=1S/C22H22O3S/c1-15-5-3-6-16(2)22(15)18-8-4-7-17(13-18)14-25-21-12-10-19(26-21)9-11-20(23)24/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,23,24)
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n/an/an/an/a 52n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019086
PNG
(CHEMBL3288347)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ncc(CCC(O)=O)s2)c1
Show InChI InChI=1S/C21H21NO3S/c1-14-5-3-6-15(2)20(14)17-8-4-7-16(11-17)13-25-21-22-12-18(26-21)9-10-19(23)24/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,24)
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n/an/an/an/a 65n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019087
PNG
(CHEMBL3288348)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2cnc(CCC(O)=O)cn2)c1
Show InChI InChI=1S/C22H22N2O3/c1-15-5-3-6-16(2)22(15)18-8-4-7-17(11-18)14-27-20-13-23-19(12-24-20)9-10-21(25)26/h3-8,11-13H,9-10,14H2,1-2H3,(H,25,26)
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n/an/an/an/a 3.80n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019088
PNG
(CHEMBL3288349)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)nn2)c1
Show InChI InChI=1S/C22H22N2O3/c1-15-5-3-6-16(2)22(15)18-8-4-7-17(13-18)14-27-20-11-9-19(23-24-20)10-12-21(25)26/h3-9,11,13H,10,12,14H2,1-2H3,(H,25,26)
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n/an/an/an/a 420n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019089
PNG
(CHEMBL3288350)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ncc(CCC(O)=O)cn2)c1
Show InChI InChI=1S/C22H22N2O3/c1-15-5-3-6-16(2)21(15)19-8-4-7-17(11-19)14-27-22-23-12-18(13-24-22)9-10-20(25)26/h3-8,11-13H,9-10,14H2,1-2H3,(H,25,26)
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n/an/an/an/a 130n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019090
PNG
(CHEMBL3288351)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2cc(C)c(CCC(O)=O)cn2)c1
Show InChI InChI=1S/C24H25NO3/c1-16-6-4-7-17(2)24(16)20-9-5-8-19(13-20)15-28-22-12-18(3)21(14-25-22)10-11-23(26)27/h4-9,12-14H,10-11,15H2,1-3H3,(H,26,27)
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n/an/an/an/a 9.30n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019096
PNG
(CHEMBL3288352)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(C)n2)c1
Show InChI InChI=1S/C24H25NO3/c1-16-6-4-7-17(2)24(16)21-9-5-8-19(14-21)15-28-22-12-10-20(18(3)25-22)11-13-23(26)27/h4-10,12,14H,11,13,15H2,1-3H3,(H,26,27)
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n/an/an/an/a 81n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019099
PNG
(CHEMBL3288353)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ncc(CCC(O)=O)cc2C)c1
Show InChI InChI=1S/C24H25NO3/c1-16-6-4-7-17(2)23(16)21-9-5-8-20(13-21)15-28-24-18(3)12-19(14-25-24)10-11-22(26)27/h4-9,12-14H,10-11,15H2,1-3H3,(H,26,27)
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n/an/an/an/a 2.50E+3n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
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 13n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019102
PNG
(CHEMBL3288354)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CC(F)C(O)=O)cn2)c1
Show InChI InChI=1S/C23H22FNO3/c1-15-5-3-6-16(2)22(15)19-8-4-7-18(11-19)14-28-21-10-9-17(13-25-21)12-20(24)23(26)27/h3-11,13,20H,12,14H2,1-2H3,(H,26,27)
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n/an/an/an/a 8.60n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019103
PNG
(CHEMBL3288355)
Show SMILES CC(Cc1ccc(OCc2cccc(c2)-c2c(C)cccc2C)nc1)C(O)=O
Show InChI InChI=1S/C24H25NO3/c1-16-6-4-7-17(2)23(16)21-9-5-8-20(13-21)15-28-22-11-10-19(14-25-22)12-18(3)24(26)27/h4-11,13-14,18H,12,15H2,1-3H3,(H,26,27)
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n/an/an/an/a 65n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019104
PNG
(CHEMBL3288356)
Show SMILES COC(Cc1ccc(OCc2cccc(c2)-c2c(C)cccc2C)nc1)C(O)=O
Show InChI InChI=1S/C24H25NO4/c1-16-6-4-7-17(2)23(16)20-9-5-8-19(12-20)15-29-22-11-10-18(14-25-22)13-21(28-3)24(26)27/h4-12,14,21H,13,15H2,1-3H3,(H,26,27)
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n/an/an/an/a 120n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019108
PNG
(CHEMBL3288360)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2cc3COC(CC(O)=O)c3cn2)c1
Show InChI InChI=1S/C24H23NO4/c1-15-5-3-6-16(2)24(15)18-8-4-7-17(9-18)13-29-22-10-19-14-28-21(11-23(26)27)20(19)12-25-22/h3-10,12,21H,11,13-14H2,1-2H3,(H,26,27)
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n/an/an/an/a 49n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019109
PNG
(CHEMBL3288361)
Show SMILES CCOC(CC(O)=O)c1ccc(OCc2ccccc2)nc1
Show InChI InChI=1S/C17H19NO4/c1-2-21-15(10-17(19)20)14-8-9-16(18-11-14)22-12-13-6-4-3-5-7-13/h3-9,11,15H,2,10,12H2,1H3,(H,19,20)
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n/an/an/an/a 230n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019110
PNG
(CHEMBL3288362)
Show SMILES CCOC(CC(O)=O)c1ccc(OCc2ccccc2C)cc1
Show InChI InChI=1S/C19H22O4/c1-3-22-18(12-19(20)21)15-8-10-17(11-9-15)23-13-16-7-5-4-6-14(16)2/h4-11,18H,3,12-13H2,1-2H3,(H,20,21)
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n/an/an/an/a 20n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019111
PNG
(CHEMBL3288363)
Show SMILES CCOC(CC(O)=O)c1ccc(OCc2cccc(C)c2)cc1
Show InChI InChI=1S/C19H22O4/c1-3-22-18(12-19(20)21)16-7-9-17(10-8-16)23-13-15-6-4-5-14(2)11-15/h4-11,18H,3,12-13H2,1-2H3,(H,20,21)
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n/an/an/an/a 35n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019112
PNG
(CHEMBL3286417)
Show SMILES CCOC(CC(O)=O)c1ccc(OCc2ccc(C)cc2)cc1
Show InChI InChI=1S/C19H22O4/c1-3-22-18(12-19(20)21)16-8-10-17(11-9-16)23-13-15-6-4-14(2)5-7-15/h4-11,18H,3,12-13H2,1-2H3,(H,20,21)
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n/an/an/an/a 370n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50339489
PNG
(3-{4-[(2',6'-Dimethylbiphenyl-3-yl)methoxy]phenyl}...)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C24H24O3/c1-17-5-3-6-18(2)24(17)21-8-4-7-20(15-21)16-27-22-12-9-19(10-13-22)11-14-23(25)26/h3-10,12-13,15H,11,14,16H2,1-2H3,(H,25,26)
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n/an/an/an/a 18n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019083
PNG
(CHEMBL3288344)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)cn2)c1
Show InChI InChI=1S/C23H23NO3/c1-16-5-3-6-17(2)23(16)20-8-4-7-19(13-20)15-27-21-11-9-18(14-24-21)10-12-22(25)26/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,25,26)
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n/an/an/an/a 38n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019084
PNG
(CHEMBL3288345)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)nc2)c1
Show InChI InChI=1S/C23H23NO3/c1-16-5-3-6-17(2)23(16)19-8-4-7-18(13-19)15-27-21-11-9-20(24-14-21)10-12-22(25)26/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,25,26)
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n/an/an/an/a 210n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019085
PNG
(CHEMBL3288346)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)s2)c1
Show InChI InChI=1S/C22H22O3S/c1-15-5-3-6-16(2)22(15)18-8-4-7-17(13-18)14-25-21-12-10-19(26-21)9-11-20(23)24/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,23,24)
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n/an/an/an/a 840n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019086
PNG
(CHEMBL3288347)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ncc(CCC(O)=O)s2)c1
Show InChI InChI=1S/C21H21NO3S/c1-14-5-3-6-15(2)20(14)17-8-4-7-16(11-17)13-25-21-22-12-18(26-21)9-10-19(23)24/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,24)
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n/an/an/an/a 540n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019105
PNG
(CHEMBL3288357)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(cn2)C(F)CC(O)=O)c1
Show InChI InChI=1S/C23H22FNO3/c1-15-5-3-6-16(2)23(15)18-8-4-7-17(11-18)14-28-21-10-9-19(13-25-21)20(24)12-22(26)27/h3-11,13,20H,12,14H2,1-2H3,(H,26,27)
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n/an/an/an/a 18n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019106
PNG
(CHEMBL3288358)
Show SMILES CC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cccc2C)nc1
Show InChI InChI=1S/C24H25NO3/c1-16-6-4-7-17(2)24(16)20-9-5-8-19(13-20)15-28-22-11-10-21(14-25-22)18(3)12-23(26)27/h4-11,13-14,18H,12,15H2,1-3H3,(H,26,27)
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n/an/an/an/a 10n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019087
PNG
(CHEMBL3288348)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2cnc(CCC(O)=O)cn2)c1
Show InChI InChI=1S/C22H22N2O3/c1-15-5-3-6-16(2)22(15)18-8-4-7-17(11-18)14-27-20-13-23-19(12-24-20)9-10-21(25)26/h3-8,11-13H,9-10,14H2,1-2H3,(H,25,26)
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n/an/an/an/a 16n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019088
PNG
(CHEMBL3288349)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)nn2)c1
Show InChI InChI=1S/C22H22N2O3/c1-15-5-3-6-16(2)22(15)18-8-4-7-17(13-18)14-27-20-11-9-19(23-24-20)10-12-21(25)26/h3-9,11,13H,10,12,14H2,1-2H3,(H,25,26)
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n/an/an/an/a 310n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019089
PNG
(CHEMBL3288350)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ncc(CCC(O)=O)cn2)c1
Show InChI InChI=1S/C22H22N2O3/c1-15-5-3-6-16(2)21(15)19-8-4-7-17(11-19)14-27-22-23-12-18(13-24-22)9-10-20(25)26/h3-8,11-13H,9-10,14H2,1-2H3,(H,25,26)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019090
PNG
(CHEMBL3288351)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2cc(C)c(CCC(O)=O)cn2)c1
Show InChI InChI=1S/C24H25NO3/c1-16-6-4-7-17(2)24(16)20-9-5-8-19(13-20)15-28-22-12-18(3)21(14-25-22)10-11-23(26)27/h4-9,12-14H,10-11,15H2,1-3H3,(H,26,27)
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n/an/an/an/a 130n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019096
PNG
(CHEMBL3288352)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(C)n2)c1
Show InChI InChI=1S/C24H25NO3/c1-16-6-4-7-17(2)24(16)21-9-5-8-19(14-21)15-28-22-12-10-20(18(3)25-22)11-13-23(26)27/h4-10,12,14H,11,13,15H2,1-3H3,(H,26,27)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019099
PNG
(CHEMBL3288353)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ncc(CCC(O)=O)cc2C)c1
Show InChI InChI=1S/C24H25NO3/c1-16-6-4-7-17(2)23(16)21-9-5-8-20(13-21)15-28-24-18(3)12-19(14-25-24)10-11-22(26)27/h4-9,12-14H,10-11,15H2,1-3H3,(H,26,27)
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n/an/an/an/a 9.10E+3n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
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 99n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019102
PNG
(CHEMBL3288354)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CC(F)C(O)=O)cn2)c1
Show InChI InChI=1S/C23H22FNO3/c1-15-5-3-6-16(2)22(15)19-8-4-7-18(11-19)14-28-21-10-9-17(13-25-21)12-20(24)23(26)27/h3-11,13,20H,12,14H2,1-2H3,(H,26,27)
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n/an/an/an/a 250n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019103
PNG
(CHEMBL3288355)
Show SMILES CC(Cc1ccc(OCc2cccc(c2)-c2c(C)cccc2C)nc1)C(O)=O
Show InChI InChI=1S/C24H25NO3/c1-16-6-4-7-17(2)23(16)21-9-5-8-20(13-21)15-28-22-11-10-19(14-25-22)12-18(3)24(26)27/h4-11,13-14,18H,12,15H2,1-3H3,(H,26,27)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019104
PNG
(CHEMBL3288356)
Show SMILES COC(Cc1ccc(OCc2cccc(c2)-c2c(C)cccc2C)nc1)C(O)=O
Show InChI InChI=1S/C24H25NO4/c1-16-6-4-7-17(2)23(16)20-9-5-8-19(12-20)15-29-22-11-10-18(14-25-22)13-21(28-3)24(26)27/h4-12,14,21H,13,15H2,1-3H3,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019105
PNG
(CHEMBL3288357)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(cn2)C(F)CC(O)=O)c1
Show InChI InChI=1S/C23H22FNO3/c1-15-5-3-6-16(2)23(15)18-8-4-7-17(11-18)14-28-21-10-9-19(13-25-21)20(24)12-22(26)27/h3-11,13,20H,12,14H2,1-2H3,(H,26,27)
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n/an/an/an/a 96n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019106
PNG
(CHEMBL3288358)
Show SMILES CC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cccc2C)nc1
Show InChI InChI=1S/C24H25NO3/c1-16-6-4-7-17(2)24(16)20-9-5-8-19(13-20)15-28-22-11-10-21(14-25-22)18(3)12-23(26)27/h4-11,13-14,18H,12,15H2,1-3H3,(H,26,27)
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n/an/an/an/a 320n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019107
PNG
(CHEMBL3288359)
Show SMILES CCOC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cccc2C)nc1
Show InChI InChI=1S/C25H27NO4/c1-4-29-22(14-24(27)28)21-11-12-23(26-15-21)30-16-19-9-6-10-20(13-19)25-17(2)7-5-8-18(25)3/h5-13,15,22H,4,14,16H2,1-3H3,(H,27,28)
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n/an/an/an/a 130n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019108
PNG
(CHEMBL3288360)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2cc3COC(CC(O)=O)c3cn2)c1
Show InChI InChI=1S/C24H23NO4/c1-15-5-3-6-16(2)24(15)18-8-4-7-17(9-18)13-29-22-10-19-14-28-21(11-23(26)27)20(19)12-25-22/h3-10,12,21H,11,13-14H2,1-2H3,(H,26,27)
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n/an/an/an/a 190n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019109
PNG
(CHEMBL3288361)
Show SMILES CCOC(CC(O)=O)c1ccc(OCc2ccccc2)nc1
Show InChI InChI=1S/C17H19NO4/c1-2-21-15(10-17(19)20)14-8-9-16(18-11-14)22-12-13-6-4-3-5-7-13/h3-9,11,15H,2,10,12H2,1H3,(H,19,20)
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n/an/an/an/a 760n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019110
PNG
(CHEMBL3288362)
Show SMILES CCOC(CC(O)=O)c1ccc(OCc2ccccc2C)cc1
Show InChI InChI=1S/C19H22O4/c1-3-22-18(12-19(20)21)15-8-10-17(11-9-15)23-13-16-7-5-4-6-14(16)2/h4-11,18H,3,12-13H2,1-2H3,(H,20,21)
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n/an/an/an/a 79n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019111
PNG
(CHEMBL3288363)
Show SMILES CCOC(CC(O)=O)c1ccc(OCc2cccc(C)c2)cc1
Show InChI InChI=1S/C19H22O4/c1-3-22-18(12-19(20)21)16-7-9-17(10-8-16)23-13-15-6-4-5-14(2)11-15/h4-11,18H,3,12-13H2,1-2H3,(H,20,21)
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n/an/an/an/a 78n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019112
PNG
(CHEMBL3286417)
Show SMILES CCOC(CC(O)=O)c1ccc(OCc2ccc(C)cc2)cc1
Show InChI InChI=1S/C19H22O4/c1-3-22-18(12-19(20)21)16-8-10-17(11-9-16)23-13-15-6-4-14(2)5-7-15/h4-11,18H,3,12-13H2,1-2H3,(H,20,21)
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n/an/an/an/a 290n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019107
PNG
(CHEMBL3288359)
Show SMILES CCOC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cccc2C)nc1
Show InChI InChI=1S/C25H27NO4/c1-4-29-22(14-24(27)28)21-11-12-23(26-15-21)30-16-19-9-6-10-20(13-19)25-17(2)7-5-8-18(25)3/h5-13,15,22H,4,14,16H2,1-3H3,(H,27,28)
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n/an/an/an/a 14n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085548
PNG
(CHEMBL3425533)
Show SMILES CCO[C@@H](CC(O)=O)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C19H19F3O4/c1-2-25-17(11-18(23)24)14-5-9-16(10-6-14)26-12-13-3-7-15(8-4-13)19(20,21)22/h3-10,17H,2,11-12H2,1H3,(H,23,24)/t17-/m0/s1
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n/an/an/an/a 1.04E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma (unknown origin)


ACS Med Chem Lett 6: 266-70 (2015)


Article DOI: 10.1021/ml500391n
BindingDB Entry DOI: 10.7270/Q26T0PBH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50085549
PNG
(CHEMBL3427715)
Show SMILES CCO[C@H](CC(O)=O)c1ccc(O[C@H]2CCc3c2cccc3C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C21H21F3O4/c1-2-27-19(12-20(25)26)13-6-8-14(9-7-13)28-18-11-10-15-16(18)4-3-5-17(15)21(22,23)24/h3-9,18-19H,2,10-12H2,1H3,(H,25,26)/t18-,19+/m0/s1
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n/an/an/an/a 2.60E+3n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay


ACS Med Chem Lett 6: 266-70 (2015)


Article DOI: 10.1021/ml500391n
BindingDB Entry DOI: 10.7270/Q26T0PBH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50085550
PNG
(CHEMBL3427714)
Show SMILES CCO[C@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C21H21F3O4/c1-2-27-19(12-20(25)26)13-6-8-14(9-7-13)28-18-11-10-15-16(18)4-3-5-17(15)21(22,23)24/h3-9,18-19H,2,10-12H2,1H3,(H,25,26)/t18-,19-/m1/s1
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n/an/an/an/a 330n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay


ACS Med Chem Lett 6: 266-70 (2015)


Article DOI: 10.1021/ml500391n
BindingDB Entry DOI: 10.7270/Q26T0PBH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50085552
PNG
(CHEMBL3427713)
Show SMILES CCO[C@@H](CC(O)=O)c1ccc(O[C@H]2CCc3c2cccc3C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C21H21F3O4/c1-2-27-19(12-20(25)26)13-6-8-14(9-7-13)28-18-11-10-15-16(18)4-3-5-17(15)21(22,23)24/h3-9,18-19H,2,10-12H2,1H3,(H,25,26)/t18-,19-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay


ACS Med Chem Lett 6: 266-70 (2015)


Article DOI: 10.1021/ml500391n
BindingDB Entry DOI: 10.7270/Q26T0PBH
More data for this
Ligand-Target Pair
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