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PubMed code 20064714

Compile data set for download or QSAR
Found 54 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))
BDBM50306363
PNG
(5-(4-(2-chlorophenoxy)benzyl)thiazolidine-2,4-dion...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2ccccc2Cl)cc1
Show InChI InChI=1S/C16H12ClNO3S/c17-12-3-1-2-4-13(12)21-11-7-5-10(6-8-11)9-14-15(19)18-16(20)22-14/h1-8,19H,9H2,(H,18,20)
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n/an/an/an/a 1.19E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306397
PNG
(5-(4-phenoxybenzyl)thiazolidine-2,4-dione | CHEMBL...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H13NO3S/c18-15-14(21-16(19)17-15)10-11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9,18H,10H2,(H,17,19)
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n/an/an/an/a 307n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306379
PNG
(5-(4-(6-methyl-4-(trifluoromethyl)pyridin-2-yloxy)...)
Show SMILES Cc1cc(cc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)n1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N2O3S/c1-9-6-11(17(18,19)20)8-14(21-9)25-12-4-2-10(3-5-12)7-13-15(23)22-16(24)26-13/h2-6,8,23H,7H2,1H3,(H,22,24)
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n/an/an/an/a 218n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306380
PNG
(5-(4-(4-methyl-6-(trifluoromethyl)pyridin-2-yloxy)...)
Show SMILES Cc1cc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N2O3S/c1-9-6-13(17(18,19)20)21-14(7-9)25-11-4-2-10(3-5-11)8-12-15(23)22-16(24)26-12/h2-7,23H,8H2,1H3,(H,22,24)
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n/an/an/an/a 688n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306382
PNG
(5-(4-(3,5-dichloropyridin-2-yloxy)benzyl)thiazolid...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2ncc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C15H10Cl2N2O3S/c16-9-6-11(17)14(18-7-9)22-10-3-1-8(2-4-10)5-12-13(20)19-15(21)23-12/h1-4,6-7,20H,5H2,(H,19,21)
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n/an/an/an/a 90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
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 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306389
PNG
(5-(4-(2,4-dichlorophenoxy)-2-methoxybenzyl)thiazol...)
Show SMILES COc1cc(Oc2ccc(Cl)cc2Cl)ccc1Cc1sc(=O)[nH]c1O
Show InChI InChI=1S/C17H13Cl2NO4S/c1-23-14-8-11(24-13-5-3-10(18)7-12(13)19)4-2-9(14)6-15-16(21)20-17(22)25-15/h2-5,7-8,21H,6H2,1H3,(H,20,22)
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n/an/an/an/a 1.41E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306398
PNG
(5-(3-phenoxybenzyl)thiazolidine-2,4-dione | CHEMBL...)
Show SMILES Oc1[nH]c(=O)sc1Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C16H13NO3S/c18-15-14(21-16(19)17-15)10-11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-9,18H,10H2,(H,17,19)
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n/an/an/an/a 4.70E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306390
PNG
(5-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)...)
Show SMILES COc1cc(Oc2ncc(cc2Cl)C(F)(F)F)ccc1Cc1sc(=O)[nH]c1O
Show InChI InChI=1S/C17H12ClF3N2O4S/c1-26-12-6-10(3-2-8(12)4-13-14(24)23-16(25)28-13)27-15-11(18)5-9(7-22-15)17(19,20)21/h2-3,5-7,24H,4H2,1H3,(H,23,25)
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n/an/an/an/a 1.39E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306391
PNG
(5-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)...)
Show SMILES Cc1cc(Oc2ncc(cc2Cl)C(F)(F)F)cc(C)c1Cc1sc(=O)[nH]c1O
Show InChI InChI=1S/C18H14ClF3N2O3S/c1-8-3-11(27-16-13(19)5-10(7-23-16)18(20,21)22)4-9(2)12(8)6-14-15(25)24-17(26)28-14/h3-5,7,25H,6H2,1-2H3,(H,24,26)
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n/an/an/an/a 5.45E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306395
PNG
(5-(4-(2,4-dichlorophenoxy)benzyl)oxazolidine-2,4-d...)
Show SMILES Oc1[nH]c(=O)oc1Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C16H11Cl2NO4/c17-10-3-6-13(12(18)8-10)22-11-4-1-9(2-5-11)7-14-15(20)19-16(21)23-14/h1-6,8,20H,7H2,(H,19,21)
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n/an/an/an/a 4.02E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306396
PNG
(3-(4-(2,4-dichlorophenoxy)benzyl)pyrrolidine-2,5-d...)
Show SMILES Clc1ccc(Oc2ccc(CC3CC(=O)NC3=O)cc2)c(Cl)c1
Show InChI InChI=1S/C17H13Cl2NO3/c18-12-3-6-15(14(19)9-12)23-13-4-1-10(2-5-13)7-11-8-16(21)20-17(11)22/h1-6,9,11H,7-8H2,(H,20,21,22)
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n/an/an/an/a 6.45E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306401
PNG
(5-(4-benzylbenzyl)thiazolidine-2,4-dione | CHEMBL5...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C17H15NO2S/c19-16-15(21-17(20)18-16)11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H,18,20)
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n/an/an/an/a 9.28E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306402
PNG
(5-(4-styrylbenzyl)thiazolidine-2,4-dione | CHEMBL5...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C18H15NO2S/c20-17-16(22-18(21)19-17)12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11,20H,12H2,(H,19,21)/b7-6+
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n/an/an/an/a 2.09E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306406
PNG
(5-(4-(o-tolyloxy)benzyl)thiazolidine-2,4-dione | C...)
Show SMILES Cc1ccccc1Oc1ccc(Cc2sc(=O)[nH]c2O)cc1
Show InChI InChI=1S/C17H15NO3S/c1-11-4-2-3-5-14(11)21-13-8-6-12(7-9-13)10-15-16(19)18-17(20)22-15/h2-9,19H,10H2,1H3,(H,18,20)
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n/an/an/an/a 124n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
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 100n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306358
PNG
(5-(4-(3,5-dimethylphenoxy)benzyl)thiazolidine-2,4-...)
Show SMILES Cc1cc(C)cc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1
Show InChI InChI=1S/C18H17NO3S/c1-11-7-12(2)9-15(8-11)22-14-5-3-13(4-6-14)10-16-17(20)19-18(21)23-16/h3-9,20H,10H2,1-2H3,(H,19,21)
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n/an/an/an/a 96n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306359
PNG
(5-(4-(2,3-dimethylphenoxy)benzyl)thiazolidine-2,4-...)
Show SMILES Cc1cccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1C
Show InChI InChI=1S/C18H17NO3S/c1-11-4-3-5-15(12(11)2)22-14-8-6-13(7-9-14)10-16-17(20)19-18(21)23-16/h3-9,20H,10H2,1-2H3,(H,19,21)
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n/an/an/an/a 334n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306360
PNG
(5-(4-(2,4-dimethylphenoxy)benzyl)thiazolidine-2,4-...)
Show SMILES Cc1ccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c(C)c1
Show InChI InChI=1S/C18H17NO3S/c1-11-3-8-15(12(2)9-11)22-14-6-4-13(5-7-14)10-16-17(20)19-18(21)23-16/h3-9,20H,10H2,1-2H3,(H,19,21)
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n/an/an/an/a 121n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306361
PNG
(5-(4-(2,5-dimethylphenoxy)benzyl)thiazolidine-2,4-...)
Show SMILES Cc1ccc(C)c(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1
Show InChI InChI=1S/C18H17NO3S/c1-11-3-4-12(2)15(9-11)22-14-7-5-13(6-8-14)10-16-17(20)19-18(21)23-16/h3-9,20H,10H2,1-2H3,(H,19,21)
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n/an/an/an/a 238n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306362
PNG
(5-(4-(3,4-dimethylphenoxy)benzyl)thiazolidine-2,4-...)
Show SMILES Cc1ccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)cc1C
Show InChI InChI=1S/C18H17NO3S/c1-11-3-6-15(9-12(11)2)22-14-7-4-13(5-8-14)10-16-17(20)19-18(21)23-16/h3-9,20H,10H2,1-2H3,(H,19,21)
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n/an/an/an/a 727n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306364
PNG
(5-(4-(3-chlorophenoxy)benzyl)thiazolidine-2,4-dion...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C16H12ClNO3S/c17-11-2-1-3-13(9-11)21-12-6-4-10(5-7-12)8-14-15(19)18-16(20)22-14/h1-7,9,19H,8H2,(H,18,20)
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n/an/an/an/a 318n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306365
PNG
(5-(4-(4-chlorophenoxy)benzyl)thiazolidine-2,4-dion...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H12ClNO3S/c17-11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)9-14-15(19)18-16(20)22-14/h1-8,19H,9H2,(H,18,20)
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n/an/an/an/a 240n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306370
PNG
(5-(4-(3-(trifluoromethyl)pyridin-2-yloxy)benzyl)th...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C16H11F3N2O3S/c17-16(18,19)11-2-1-7-20-14(11)24-10-5-3-9(4-6-10)8-12-13(22)21-15(23)25-12/h1-7,22H,8H2,(H,21,23)
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n/an/an/an/a 2.29E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306383
PNG
(5-(4-(isoquinolin-3-yloxy)benzyl)thiazolidine-2,4-...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2cc3ccccc3cn2)cc1
Show InChI InChI=1S/C19H14N2O3S/c22-18-16(25-19(23)21-18)9-12-5-7-15(8-6-12)24-17-10-13-3-1-2-4-14(13)11-20-17/h1-8,10-11,22H,9H2,(H,21,23)
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n/an/an/an/a 144n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306386
PNG
(5-(2-chloro-4-(3-chloro-5-(trifluoromethyl)pyridin...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C16H9Cl2F3N2O3S/c17-10-5-9(2-1-7(10)3-12-13(24)23-15(25)27-12)26-14-11(18)4-8(6-22-14)16(19,20)21/h1-2,4-6,24H,3H2,(H,23,25)
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n/an/an/an/a 26n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306400
PNG
(5-(4-(phenylthio)benzyl)thiazolidine-2,4-dione | C...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C16H13NO2S2/c18-15-14(21-16(19)17-15)10-11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9,18H,10H2,(H,17,19)
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n/an/an/an/a 5.06E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306403
PNG
(5-(4-phenethylbenzyl)thiazolidine-2,4-dione | CHEM...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(CCc2ccccc2)cc1
Show InChI InChI=1S/C18H17NO2S/c20-17-16(22-18(21)19-17)12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11,20H,6-7,12H2,(H,19,21)
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n/an/an/an/a 1.08E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306404
PNG
(5-(4-benzoylbenzyl)thiazolidine-2,4-dione | CHEMBL...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C17H13NO3S/c19-15(12-4-2-1-3-5-12)13-8-6-11(7-9-13)10-14-16(20)18-17(21)22-14/h1-9,20H,10H2,(H,18,21)
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n/an/an/an/a 5.30E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306407
PNG
(5-(4-(m-tolyloxy)benzyl)thiazolidine-2,4-dione | C...)
Show SMILES Cc1cccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1
Show InChI InChI=1S/C17H15NO3S/c1-11-3-2-4-14(9-11)21-13-7-5-12(6-8-13)10-15-16(19)18-17(20)22-15/h2-9,19H,10H2,1H3,(H,18,20)
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n/an/an/an/a 203n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50415336
PNG
(CHEMBL611821)
Show SMILES Cc1nc(sc1CNc1ccc(cc1)C1CC1C(O)=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N2O2S/c1-12-19(30-20(27-12)14-2-6-15(7-3-14)22(23,24)25)11-26-16-8-4-13(5-9-16)17-10-18(17)21(28)29/h2-9,17-18,26H,10-11H2,1H3,(H,28,29)
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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306393
PNG
(5-(4-(4-fluorophenoxy)benzyl)thiazolidine-2,4-dion...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H12FNO3S/c17-11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)9-14-15(19)18-16(20)22-14/h1-8,19H,9H2,(H,18,20)
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n/an/an/an/a 480n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306394
PNG
(5-(4-(2,4-dichlorophenoxy)benzyl)thiazolidine-2,4-...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C16H11Cl2NO3S/c17-10-3-6-13(12(18)8-10)22-11-4-1-9(2-5-11)7-14-15(20)19-16(21)23-14/h1-6,8,20H,7H2,(H,19,21)
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n/an/an/an/a 101n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50145471
PNG
(5-(4-(benzyloxy)benzyl)thiazolidine-2,4-dione | 5-...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C17H15NO3S/c19-16-15(22-17(20)18-16)10-12-6-8-14(9-7-12)21-11-13-4-2-1-3-5-13/h1-9,19H,10-11H2,(H,18,20)
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n/an/an/an/a 6.18E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306405
PNG
(5-(biphenyl-4-ylmethyl)thiazolidine-2,4-dione | CH...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H13NO2S/c18-15-14(20-16(19)17-15)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,18H,10H2,(H,17,19)
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n/an/an/an/a 2.22E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306367
PNG
(5-(4-(2-chloro-4-(trifluoromethyl)phenoxy)benzyl)t...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2ccc(cc2Cl)C(F)(F)F)cc1
Show InChI InChI=1S/C17H11ClF3NO3S/c18-12-8-10(17(19,20)21)3-6-13(12)25-11-4-1-9(2-5-11)7-14-15(23)22-16(24)26-14/h1-6,8,23H,7H2,(H,22,24)
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n/an/an/an/a 78n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306369
PNG
(5-(4-(naphthalen-1-yloxy)benzyl)thiazolidine-2,4-d...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H15NO3S/c22-19-18(25-20(23)21-19)12-13-8-10-15(11-9-13)24-17-7-3-5-14-4-1-2-6-16(14)17/h1-11,22H,12H2,(H,21,23)
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n/an/an/an/a 135n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306408
PNG
(5-(4-(p-tolyloxy)benzyl)thiazolidine-2,4-dione | C...)
Show SMILES Cc1ccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)cc1
Show InChI InChI=1S/C17H15NO3S/c1-11-2-6-13(7-3-11)21-14-8-4-12(5-9-14)10-15-16(19)18-17(20)22-15/h2-9,19H,10H2,1H3,(H,18,20)
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n/an/an/an/a 547n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306368
PNG
(4-(4-((2,4-dioxothiazolidin-5-yl)methyl)phenoxy)-2...)
Show SMILES Cc1cc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)cc(C)c1C#N
Show InChI InChI=1S/C19H16N2O3S/c1-11-7-15(8-12(2)16(11)10-20)24-14-5-3-13(4-6-14)9-17-18(22)21-19(23)25-17/h3-8,22H,9H2,1-2H3,(H,21,23)
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n/an/an/an/a 120n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306371
PNG
(5-(4-(4-(trifluoromethyl)pyridin-2-yloxy)benzyl)th...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2cc(ccn2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H11F3N2O3S/c17-16(18,19)10-5-6-20-13(8-10)24-11-3-1-9(2-4-11)7-12-14(22)21-15(23)25-12/h1-6,8,22H,7H2,(H,21,23)
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n/an/an/an/a 237n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306373
PNG
(5-(4-(6-(trifluoromethyl)pyridin-2-yloxy)benzyl)th...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2cccc(n2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H11F3N2O3S/c17-16(18,19)12-2-1-3-13(20-12)24-10-6-4-9(5-7-10)8-11-14(22)21-15(23)25-11/h1-7,22H,8H2,(H,21,23)
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n/an/an/an/a 1.64E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306375
PNG
(5-(4-(4-methylpyridin-2-yloxy)benzyl)thiazolidine-...)
Show SMILES Cc1ccnc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1
Show InChI InChI=1S/C16H14N2O3S/c1-10-6-7-17-14(8-10)21-12-4-2-11(3-5-12)9-13-15(19)18-16(20)22-13/h2-8,19H,9H2,1H3,(H,18,20)
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n/an/an/an/a 4.28E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306378
PNG
(5-(4-(5-chloropyridin-2-yloxy)benzyl)thiazolidine-...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2ccc(Cl)cn2)cc1
Show InChI InChI=1S/C15H11ClN2O3S/c16-10-3-6-13(17-8-10)21-11-4-1-9(2-5-11)7-12-14(19)18-15(20)22-12/h1-6,8,19H,7H2,(H,18,20)
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n/an/an/an/a 1.87E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306381
PNG
(5-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1
Show InChI InChI=1S/C16H10ClF3N2O3S/c17-11-6-9(16(18,19)20)7-21-14(11)25-10-3-1-8(2-4-10)5-12-13(23)22-15(24)26-12/h1-4,6-7,23H,5H2,(H,22,24)
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n/an/an/an/a 69n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306385
PNG
(5-(4-(2-chloro-4-(trifluoromethyl)phenoxy)-2-methy...)
Show SMILES Cc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1Cc1sc(=O)[nH]c1O
Show InChI InChI=1S/C18H13ClF3NO3S/c1-9-6-12(4-2-10(9)7-15-16(24)23-17(25)27-15)26-14-5-3-11(8-13(14)19)18(20,21)22/h2-6,8,24H,7H2,1H3,(H,23,25)
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n/an/an/an/a 18n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306387
PNG
(5-(2-chloro-4-(3,5-dichloropyridin-2-yloxy)benzyl)...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2ncc(Cl)cc2Cl)cc1Cl
Show InChI InChI=1S/C15H9Cl3N2O3S/c16-8-4-11(18)14(19-6-8)23-9-2-1-7(10(17)5-9)3-12-13(21)20-15(22)24-12/h1-2,4-6,21H,3H2,(H,20,22)
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n/an/an/an/a 63n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306372
PNG
(5-(4-(5-(trifluoromethyl)pyridin-2-yloxy)benzyl)th...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H11F3N2O3S/c17-16(18,19)10-3-6-13(20-8-10)24-11-4-1-9(2-5-11)7-12-14(22)21-15(23)25-12/h1-6,8,22H,7H2,(H,21,23)
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n/an/an/an/a 558n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306376
PNG
(5-(4-(5-methylpyridin-2-yloxy)benzyl)thiazolidine-...)
Show SMILES Cc1ccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1
Show InChI InChI=1S/C16H14N2O3S/c1-10-2-7-14(17-9-10)21-12-5-3-11(4-6-12)8-13-15(19)18-16(20)22-13/h2-7,9,19H,8H2,1H3,(H,18,20)
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n/an/an/an/a 4.47E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306399
PNG
(5-(2-phenoxybenzyl)thiazolidine-2,4-dione | CHEMBL...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccccc1Oc1ccccc1
Show InChI InChI=1S/C16H13NO3S/c18-15-14(21-16(19)17-15)10-11-6-4-5-9-13(11)20-12-7-2-1-3-8-12/h1-9,18H,10H2,(H,17,19)
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n/an/an/an/a 1.13E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306366
PNG
(5-(4-(3,5-dichlorophenoxy)benzyl)thiazolidine-2,4-...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C16H11Cl2NO3S/c17-10-6-11(18)8-13(7-10)22-12-3-1-9(2-4-12)5-14-15(20)19-16(21)23-14/h1-4,6-8,20H,5H2,(H,19,21)
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n/an/an/an/a 207n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306377
PNG
(5-(4-(6-methylpyridin-2-yloxy)benzyl)thiazolidine-...)
Show SMILES Cc1cccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)n1
Show InChI InChI=1S/C16H14N2O3S/c1-10-3-2-4-14(17-10)21-12-7-5-11(6-8-12)9-13-15(19)18-16(20)22-13/h2-8,19H,9H2,1H3,(H,18,20)
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n/an/an/an/a 2.62E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306388
PNG
(5-(4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)benz...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1C(F)(F)F
Show InChI InChI=1S/C17H10Cl2F3NO3S/c18-9-2-4-13(12(19)6-9)26-10-3-1-8(11(7-10)17(20,21)22)5-14-15(24)23-16(25)27-14/h1-4,6-7,24H,5H2,(H,23,25)
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n/an/an/an/a 88n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306392
PNG
(5-((4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C20H12ClF3N2O3S/c21-14-8-11(20(22,23)24)9-25-18(14)29-15-6-5-10(12-3-1-2-4-13(12)15)7-16-17(27)26-19(28)30-16/h1-6,8-9,27H,7H2,(H,26,28)
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n/an/an/an/a 2.36E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50306374
PNG
(5-(4-(3-methylpyridin-2-yloxy)benzyl)thiazolidine-...)
Show SMILES Cc1cccnc1Oc1ccc(Cc2sc(=O)[nH]c2O)cc1
Show InChI InChI=1S/C16H14N2O3S/c1-10-3-2-8-17-15(10)21-12-6-4-11(5-7-12)9-13-14(19)18-16(20)22-13/h2-8,19H,9H2,1H3,(H,18,20)
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n/an/an/an/a 1.09E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA


Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%