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PubMed code 21319751

Compile data set for download or QSAR
Found 41 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))		BDBM50060992
PNG
(3-(4-Phenoxy-phenyl)-propionic acid | CHEMBL423319)
Show SMILES OC(=O)CCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H14O3/c16-15(17)11-8-12-6-9-14(10-7-12)18-13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,16,17)
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n/an/an/an/a 3.20E+3n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339492
PNG
(3-{4-[(2-Phenoxybenzyl)oxy]phenyl}propanoic Acid |...)
Show SMILES OC(=O)CCc1ccc(OCc2ccccc2Oc2ccccc2)cc1
Show InChI InChI=1S/C22H20O4/c23-22(24)15-12-17-10-13-19(14-11-17)25-16-18-6-4-5-9-21(18)26-20-7-2-1-3-8-20/h1-11,13-14H,12,15-16H2,(H,23,24)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339466
PNG
(3-{4-[(4'-Methylbiphenyl-3-yl)methoxy]phenyl}propa...)
Show SMILES Cc1ccc(cc1)-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C23H22O3/c1-17-5-10-20(11-6-17)21-4-2-3-19(15-21)16-26-22-12-7-18(8-13-22)9-14-23(24)25/h2-8,10-13,15H,9,14,16H2,1H3,(H,24,25)
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n/an/an/an/a 120n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339467
PNG
(3-{4-[(3'-Methylbiphenyl-3-yl)methoxy]phenyl}propa...)
Show SMILES Cc1cccc(c1)-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C23H22O3/c1-17-4-2-6-20(14-17)21-7-3-5-19(15-21)16-26-22-11-8-18(9-12-22)10-13-23(24)25/h2-9,11-12,14-15H,10,13,16H2,1H3,(H,24,25)
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n/an/an/an/a 240n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339469
PNG
(3-(4-{[(2',6'-Dimethylbiphenyl-3-yl)methyl]amino}p...)
Show SMILES Cc1cccc(C)c1-c1cccc(CNc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C24H25NO2/c1-17-5-3-6-18(2)24(17)21-8-4-7-20(15-21)16-25-22-12-9-19(10-13-22)11-14-23(26)27/h3-10,12-13,15,25H,11,14,16H2,1-2H3,(H,26,27)
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n/an/an/an/a 6.30n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339474
PNG
(3-{4-[(2',6'-Dimethylbiphenyl-3-yl)methoxy]phenyl}...)
Show SMILES CC(Cc1ccc(OCc2cccc(c2)-c2c(C)cccc2C)cc1)C(O)=O
Show InChI InChI=1S/C25H26O3/c1-17-6-4-7-18(2)24(17)22-9-5-8-21(15-22)16-28-23-12-10-20(11-13-23)14-19(3)25(26)27/h4-13,15,19H,14,16H2,1-3H3,(H,26,27)
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n/an/an/an/a 170n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339481
PNG
(3-(4-{[3-(2-Phenylethoxy)benzyl]oxy}phenyl)propano...)
Show SMILES OC(=O)CCc1ccc(OCc2cccc(OCCc3ccccc3)c2)cc1
Show InChI InChI=1S/C24H24O4/c25-24(26)14-11-20-9-12-22(13-10-20)28-18-21-7-4-8-23(17-21)27-16-15-19-5-2-1-3-6-19/h1-10,12-13,17H,11,14-16,18H2,(H,25,26)
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n/an/an/an/a 260n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
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 8.80n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339455
PNG
(3-(4-phenethoxyphenyl)propanoic acid | CHEMBL16884...)
Show SMILES OC(=O)CCc1ccc(OCCc2ccccc2)cc1
Show InChI InChI=1S/C17H18O3/c18-17(19)11-8-15-6-9-16(10-7-15)20-13-12-14-4-2-1-3-5-14/h1-7,9-10H,8,11-13H2,(H,18,19)
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n/an/an/an/a 3.50E+3n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339459
PNG
(3-[4-(Biphenyl-2-ylmethoxy)phenyl]propanoic Acid |...)
Show SMILES OC(=O)CCc1ccc(OCc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C22H20O3/c23-22(24)15-12-17-10-13-20(14-11-17)25-16-19-8-4-5-9-21(19)18-6-2-1-3-7-18/h1-11,13-14H,12,15-16H2,(H,23,24)
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n/an/an/an/a 3.60E+3n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339465
PNG
(3-(4-{[3-(2,6-Dimethylphenoxy)benzyl]oxy}phenyl)pr...)
Show SMILES Cc1cccc(C)c1Oc1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C24H24O4/c1-17-5-3-6-18(2)24(17)28-22-8-4-7-20(15-22)16-27-21-12-9-19(10-13-21)11-14-23(25)26/h3-10,12-13,15H,11,14,16H2,1-2H3,(H,25,26)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339458
PNG
(3-{4-[(4-Phenoxybenzyl)oxy]phenyl}propanoic Acid |...)
Show SMILES OC(=O)CCc1ccc(OCc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C22H20O4/c23-22(24)15-10-17-6-11-19(12-7-17)25-16-18-8-13-21(14-9-18)26-20-4-2-1-3-5-20/h1-9,11-14H,10,15-16H2,(H,23,24)
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n/an/an/an/a 310n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339462
PNG
(3-(4-{[3-(4-Methylphenoxy)benzyl]oxy}phenyl)propan...)
Show SMILES Cc1ccc(Oc2cccc(COc3ccc(CCC(O)=O)cc3)c2)cc1
Show InChI InChI=1S/C23H22O4/c1-17-5-10-21(11-6-17)27-22-4-2-3-19(15-22)16-26-20-12-7-18(8-13-20)9-14-23(24)25/h2-8,10-13,15H,9,14,16H2,1H3,(H,24,25)
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n/an/an/an/a 40n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339470
PNG
(3-{4-[[(2',6'-Dimethylbiphenyl-3-yl)methyl](methyl...)
Show SMILES CN(Cc1cccc(c1)-c1c(C)cccc1C)c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C25H27NO2/c1-18-6-4-7-19(2)25(18)22-9-5-8-21(16-22)17-26(3)23-13-10-20(11-14-23)12-15-24(27)28/h4-11,13-14,16H,12,15,17H2,1-3H3,(H,27,28)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339490
PNG
(3-{4-[(2',3'-Dimethylbiphenyl-3-yl)methoxy]phenyl}...)
Show SMILES Cc1cccc(c1C)-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C24H24O3/c1-17-5-3-8-23(18(17)2)21-7-4-6-20(15-21)16-27-22-12-9-19(10-13-22)11-14-24(25)26/h3-10,12-13,15H,11,14,16H2,1-2H3,(H,25,26)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339477
PNG
(3-{4-[(2',6'-Dimethylbiphenyl-3-yl)methoxy]-2-meth...)
Show SMILES Cc1cc(OCc2cccc(c2)-c2c(C)cccc2C)ccc1CCC(O)=O
Show InChI InChI=1S/C25H26O3/c1-17-6-4-7-18(2)25(17)22-9-5-8-20(15-22)16-28-23-12-10-21(19(3)14-23)11-13-24(26)27/h4-10,12,14-15H,11,13,16H2,1-3H3,(H,26,27)
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n/an/an/an/a 30n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339483
PNG
(3-(4-{[3-(Thiophen-2-yl)benzyl]oxy}phenyl)propanoi...)
Show SMILES OC(=O)CCc1ccc(OCc2cccc(c2)-c2cccs2)cc1
Show InChI InChI=1S/C20H18O3S/c21-20(22)11-8-15-6-9-18(10-7-15)23-14-16-3-1-4-17(13-16)19-5-2-12-24-19/h1-7,9-10,12-13H,8,11,14H2,(H,21,22)
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n/an/an/an/a 530n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339488
PNG
(3-(4-{[2'-(1-Methylethyl)biphenyl-3-yl]methoxy}phe...)
Show SMILES CC(C)c1ccccc1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C25H26O3/c1-18(2)23-8-3-4-9-24(23)21-7-5-6-20(16-21)17-28-22-13-10-19(11-14-22)12-15-25(26)27/h3-11,13-14,16,18H,12,15,17H2,1-2H3,(H,26,27)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339453
PNG
(3-(4-(4-phenylbutoxy)phenyl)propanoic acid | CHEMB...)
Show SMILES OC(=O)CCc1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C19H22O3/c20-19(21)14-11-17-9-12-18(13-10-17)22-15-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-10,12-13H,4-5,8,11,14-15H2,(H,20,21)
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n/an/an/an/a 1.70E+3n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339456
PNG
(Benzyloxyphenylpropanoic acid | CHEMBL1688452)
Show SMILES OC(=O)CCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C16H16O3/c17-16(18)11-8-13-6-9-15(10-7-13)19-12-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,17,18)
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n/an/an/an/a 510n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339460
PNG
(3-[4-(Biphenyl-3-ylmethoxy)phenyl]propanoic Acid |...)
Show SMILES OC(=O)CCc1ccc(OCc2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H20O3/c23-22(24)14-11-17-9-12-21(13-10-17)25-16-18-5-4-8-20(15-18)19-6-2-1-3-7-19/h1-10,12-13,15H,11,14,16H2,(H,23,24)
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n/an/an/an/a 260n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339475
PNG
(3-{4-[(2',6'-Dimethylbiphenyl-3-yl)methoxy]phenyl}...)
Show SMILES CC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cccc2C)cc1
Show InChI InChI=1S/C25H26O3/c1-17-6-4-7-18(2)25(17)22-9-5-8-20(15-22)16-28-23-12-10-21(11-13-23)19(3)14-24(26)27/h4-13,15,19H,14,16H2,1-3H3,(H,26,27)
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n/an/an/an/a 32n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339464
PNG
(3-(4-{[3-(2-Methylphenoxy)benzyl]oxy}phenyl)propan...)
Show SMILES Cc1ccccc1Oc1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C23H22O4/c1-17-5-2-3-8-22(17)27-21-7-4-6-19(15-21)16-26-20-12-9-18(10-13-20)11-14-23(24)25/h2-10,12-13,15H,11,14,16H2,1H3,(H,24,25)
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n/an/an/an/a 38n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339468
PNG
(3-{4-[(2'-Methylbiphenyl-3-yl)methoxy]phenyl}propa...)
Show SMILES Cc1ccccc1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C23H22O3/c1-17-5-2-3-8-22(17)20-7-4-6-19(15-20)16-26-21-12-9-18(10-13-21)11-14-23(24)25/h2-10,12-13,15H,11,14,16H2,1H3,(H,24,25)
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n/an/an/an/a 27n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339471
PNG
(3-{4-[2-(2',6'-Dimethylbiphenyl-3-yl)ethyl]phenyl}...)
Show SMILES Cc1cccc(C)c1-c1cccc(CCc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C25H26O2/c1-18-5-3-6-19(2)25(18)23-8-4-7-22(17-23)14-13-20-9-11-21(12-10-20)15-16-24(26)27/h3-12,17H,13-16H2,1-2H3,(H,26,27)
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n/an/an/an/a 320n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339472
PNG
(3-(4-{[(2',6'-Dimethylbiphenyl-3-yl)methyl]sulfany...)
Show SMILES Cc1cccc(C)c1-c1cccc(CSc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C24H24O2S/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 1.80E+3n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339476
PNG
(3-{4-[(2',6'-Dimethylbiphenyl-3-yl)methoxy]-2-fluo...)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C24H23FO3/c1-16-5-3-6-17(2)24(16)20-8-4-7-18(13-20)15-28-21-11-9-19(22(25)14-21)10-12-23(26)27/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,26,27)
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n/an/an/an/a 5.70n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339478
PNG
(3-{4-[(2',6'-Dimethylbiphenyl-3-yl)methoxy]-2-meth...)
Show SMILES COc1cc(OCc2cccc(c2)-c2c(C)cccc2C)ccc1CCC(O)=O
Show InChI InChI=1S/C25H26O4/c1-17-6-4-7-18(2)25(17)21-9-5-8-19(14-21)16-29-22-12-10-20(11-13-24(26)27)23(15-22)28-3/h4-10,12,14-15H,11,13,16H2,1-3H3,(H,26,27)
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n/an/an/an/a 30n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339486
PNG
(3-{4-[(2'-Fluorobiphenyl-3-yl)methoxy]phenyl}propa...)
Show SMILES OC(=O)CCc1ccc(OCc2cccc(c2)-c2ccccc2F)cc1
Show InChI InChI=1S/C22H19FO3/c23-21-7-2-1-6-20(21)18-5-3-4-17(14-18)15-26-19-11-8-16(9-12-19)10-13-22(24)25/h1-9,11-12,14H,10,13,15H2,(H,24,25)
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n/an/an/an/a 120n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339454
PNG
(3-(4-(3-phenylpropoxy)phenyl)propanoic acid | CHEM...)
Show SMILES OC(=O)CCc1ccc(OCCCc2ccccc2)cc1
Show InChI InChI=1S/C18H20O3/c19-18(20)13-10-16-8-11-17(12-9-16)21-14-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12H,4,7,10,13-14H2,(H,19,20)
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n/an/an/an/a 3.50E+3n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339461
PNG
(3-{4-[(3-Phenoxybenzyl)oxy]phenyl}propanoic Acid |...)
Show SMILES OC(=O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H20O4/c23-22(24)14-11-17-9-12-19(13-10-17)25-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15H,11,14,16H2,(H,23,24)
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n/an/an/an/a 34n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339463
PNG
(3-(4-{[3-(3-Methylphenoxy)benzyl]oxy}phenyl)propan...)
Show SMILES Cc1cccc(Oc2cccc(COc3ccc(CCC(O)=O)cc3)c2)c1
Show InChI InChI=1S/C23H22O4/c1-17-4-2-6-21(14-17)27-22-7-3-5-19(15-22)16-26-20-11-8-18(9-12-20)10-13-23(24)25/h2-9,11-12,14-15H,10,13,16H2,1H3,(H,24,25)
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n/an/an/an/a 45n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339473
PNG
(3-{4-[(2',6'-Dimethylbiphenyl-3-yl)methoxy]phenyl}...)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CC(F)C(O)=O)cc2)c1
Show InChI InChI=1S/C24H23FO3/c1-16-5-3-6-17(2)23(16)20-8-4-7-19(13-20)15-28-21-11-9-18(10-12-21)14-22(25)24(26)27/h3-13,22H,14-15H2,1-2H3,(H,26,27)
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n/an/an/an/a 170n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339480
PNG
(3-(4-{[3-(Benzyloxy)benzyl]oxy}phenyl)propanoic Ac...)
Show SMILES OC(=O)CCc1ccc(OCc2cccc(OCc3ccccc3)c2)cc1
Show InChI InChI=1S/C23H22O4/c24-23(25)14-11-18-9-12-21(13-10-18)26-17-20-7-4-8-22(15-20)27-16-19-5-2-1-3-6-19/h1-10,12-13,15H,11,14,16-17H2,(H,24,25)
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n/an/an/an/a 300n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339482
PNG
(3-{4-[(3-Pyridin-2-ylbenzyl)oxy]phenyl}propanoic A...)
Show SMILES OC(=O)CCc1ccc(OCc2cccc(c2)-c2ccccn2)cc1
Show InChI InChI=1S/C21H19NO3/c23-21(24)12-9-16-7-10-19(11-8-16)25-15-17-4-3-5-18(14-17)20-6-1-2-13-22-20/h1-8,10-11,13-14H,9,12,15H2,(H,23,24)
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n/an/an/an/a 2.70E+3n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339484
PNG
(3-(4-{[3-(1,3-Thiazol-2-yl)benzyl]oxy}phenyl)propa...)
Show SMILES OC(=O)CCc1ccc(OCc2cccc(c2)-c2nccs2)cc1
Show InChI InChI=1S/C19H17NO3S/c21-18(22)9-6-14-4-7-17(8-5-14)23-13-15-2-1-3-16(12-15)19-20-10-11-24-19/h1-5,7-8,10-12H,6,9,13H2,(H,21,22)
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n/an/an/an/a 2.70E+3n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339487
PNG
(3-{4-[(2'-Chlorobiphenyl-3-yl)methoxy]phenyl}propa...)
Show SMILES OC(=O)CCc1ccc(OCc2cccc(c2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C22H19ClO3/c23-21-7-2-1-6-20(21)18-5-3-4-17(14-18)15-26-19-11-8-16(9-12-19)10-13-22(24)25/h1-9,11-12,14H,10,13,15H2,(H,24,25)
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n/an/an/an/a 20n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339491
PNG
(3-{4-[(2',4'-Dimethylbiphenyl-3-yl)methoxy]phenyl}...)
Show SMILES Cc1ccc(c(C)c1)-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C24H24O3/c1-17-6-12-23(18(2)14-17)21-5-3-4-20(15-21)16-27-22-10-7-19(8-11-22)9-13-24(25)26/h3-8,10-12,14-15H,9,13,16H2,1-2H3,(H,25,26)
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n/an/an/an/a 9.90n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339479
PNG
(3-{4-[(2',6'-Dimethylbiphenyl-3-yl)methoxy]-2,6-di...)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2cc(F)c(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C24H22F2O3/c1-15-5-3-6-16(2)24(15)18-8-4-7-17(11-18)14-29-19-12-21(25)20(22(26)13-19)9-10-23(27)28/h3-8,11-13H,9-10,14H2,1-2H3,(H,27,28)
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n/an/an/an/a 35n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339485
PNG
(3-{4-[(2'-Methoxybiphenyl-3-yl)methoxy]phenyl}prop...)
Show SMILES COc1ccccc1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C23H22O4/c1-26-22-8-3-2-7-21(22)19-6-4-5-18(15-19)16-27-20-12-9-17(10-13-20)11-14-23(24)25/h2-10,12-13,15H,11,14,16H2,1H3,(H,24,25)
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n/an/an/an/a 82n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50339457
PNG
(3-[4-(Biphenyl-4-ylmethoxy)phenyl]propanoic Acid |...)
Show SMILES OC(=O)CCc1ccc(OCc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H20O3/c23-22(24)15-10-17-8-13-21(14-9-17)25-16-18-6-11-20(12-7-18)19-4-2-1-3-5-19/h1-9,11-14H,10,15-16H2,(H,23,24)
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n/an/an/an/a 300n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...

J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%