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PubMed code 22490067

Compile data set for download or QSAR
Found 69 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))		BDBM50386792
PNG
(CHEMBL2047161)
Show SMILES CN1CCC(CC1)Oc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C31H35NO5/c1-20-13-27(37-25-9-11-32(3)12-10-25)14-21(2)31(20)23-6-4-5-22(15-23)18-35-26-7-8-28-24(16-30(33)34)19-36-29(28)17-26/h4-8,13-15,17,24-25H,9-12,16,18-19H2,1-3H3,(H,33,34)/t24-/m1/s1
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 8.80n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386795
PNG
(CHEMBL2047164)
Show SMILES CCc1cc(OCCCS(C)(=O)=O)cc(CC)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C31H36O7S/c1-4-22-15-27(36-12-7-13-39(3,34)35)16-23(5-2)31(22)24-9-6-8-21(14-24)19-37-26-10-11-28-25(17-30(32)33)20-38-29(28)18-26/h6,8-11,14-16,18,25H,4-5,7,12-13,17,19-20H2,1-3H3,(H,32,33)/t25-/m1/s1
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 11n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386793
PNG
(CHEMBL2047162)
Show SMILES Cc1nc(C)c(COc2cc(C)c(c(C)c2)-c2cccc(COc3ccc4[C@H](CC(O)=O)COc4c3)c2)s1 |r|
Show InChI InChI=1S/C31H31NO5S/c1-18-10-26(36-17-29-20(3)32-21(4)38-29)11-19(2)31(18)23-7-5-6-22(12-23)15-35-25-8-9-27-24(13-30(33)34)16-37-28(27)14-25/h5-12,14,24H,13,15-17H2,1-4H3,(H,33,34)/t24-/m1/s1
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 12n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386801
PNG
(CHEMBL2047170)
Show SMILES Cc1c(Cl)c(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H30Cl2O7S/c1-17-26(18(2)28(31)29(27(17)30)36-10-5-11-39(3,34)35)20-7-4-6-19(12-20)15-37-22-8-9-23-21(13-25(32)33)16-38-24(23)14-22/h4,6-9,12,14,21H,5,10-11,13,15-16H2,1-3H3,(H,32,33)/t21-/m1/s1
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 12n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386794
PNG
(CHEMBL2047163)
Show SMILES Cc1cc(OCc2cccc3nccn23)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C33H30N2O5/c1-21-13-28(39-20-26-7-4-8-31-34-11-12-35(26)31)14-22(2)33(21)24-6-3-5-23(15-24)18-38-27-9-10-29-25(16-32(36)37)19-40-30(29)17-27/h3-15,17,25H,16,18-20H2,1-2H3,(H,36,37)/t25-/m1/s1
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 15n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386799
PNG
(CHEMBL2047168)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H31FO7S/c1-18-12-26(35-10-5-11-38(3,33)34)29(30)19(2)28(18)21-7-4-6-20(13-21)16-36-23-8-9-24-22(14-27(31)32)17-37-25(24)15-23/h4,6-9,12-13,15,22H,5,10-11,14,16-17H2,1-3H3,(H,31,32)/t22-/m1/s1
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 18n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386800
PNG
(CHEMBL2047169)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H31ClO7S/c1-18-12-26(35-10-5-11-38(3,33)34)29(30)19(2)28(18)21-7-4-6-20(13-21)16-36-23-8-9-24-22(14-27(31)32)17-37-25(24)15-23/h4,6-9,12-13,15,22H,5,10-11,14,16-17H2,1-3H3,(H,31,32)/t22-/m1/s1
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 19n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386784
PNG
(CHEMBL2047151)
Show SMILES Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C30H32O6/c1-19-9-25(36-18-30(3)16-33-17-30)10-20(2)29(19)22-6-4-5-21(11-22)14-34-24-7-8-26-23(12-28(31)32)15-35-27(26)13-24/h4-11,13,23H,12,14-18H2,1-3H3,(H,31,32)
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 21n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386781
PNG
(CHEMBL2047149)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H32O6/c1-4-32-10-11-33-25-12-19(2)29(20(3)13-25)22-7-5-6-21(14-22)17-34-24-8-9-26-23(15-28(30)31)18-35-27(26)16-24/h5-9,12-14,16,23H,4,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
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 23n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386788
PNG
(CHEMBL2047157)
Show SMILES Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C31H34O8S/c1-20-12-26(39-19-31(34)8-10-40(35,36)11-9-31)13-21(2)30(20)23-5-3-4-22(14-23)17-37-25-6-7-27-24(15-29(32)33)18-38-28(27)16-25/h3-7,12-14,16,24,34H,8-11,15,17-19H2,1-2H3,(H,32,33)/t24-/m1/s1
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 24n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386785
PNG
(CHEMBL2047152)
Show SMILES Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C30H32O6/c1-19-9-25(36-18-30(3)16-33-17-30)10-20(2)29(19)22-6-4-5-21(11-22)14-34-24-7-8-26-23(12-28(31)32)15-35-27(26)13-24/h4-11,13,23H,12,14-18H2,1-3H3,(H,31,32)/t23-/m1/s1
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 25n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386798
PNG
(CHEMBL2047167)
Show SMILES Cc1cc(OC2CCS(=O)(=O)CC2)c(F)c(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C30H31FO7S/c1-18-12-27(38-23-8-10-39(34,35)11-9-23)30(31)19(2)29(18)21-5-3-4-20(13-21)16-36-24-6-7-25-22(14-28(32)33)17-37-26(25)15-24/h3-7,12-13,15,22-23H,8-11,14,16-17H2,1-2H3,(H,32,33)/t22-/m1/s1
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 31n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386791
PNG
(CHEMBL2047160)
Show SMILES Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C32H35NO6/c1-21-14-27(37-13-5-12-33-11-4-8-30(33)34)15-22(2)32(21)24-7-3-6-23(16-24)19-38-26-9-10-28-25(17-31(35)36)20-39-29(28)18-26/h3,6-7,9-10,14-16,18,25H,4-5,8,11-13,17,19-20H2,1-2H3,(H,35,36)/t25-/m1/s1
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 31n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50382540
PNG
(CHEMBL2022577)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C29H32O6/c1-4-32-10-11-33-25-12-19(2)29(20(3)13-25)22-7-5-6-21(14-22)17-34-24-8-9-26-23(15-28(30)31)18-35-27(26)16-24/h5-9,12-14,16,23H,4,10-11,15,17-18H2,1-3H3,(H,30,31)
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 32n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386797
PNG
(CHEMBL2047166)
Show SMILES Cc1c(C)c(c(C)c(C)c1OCCCS(C)(=O)=O)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C31H36O7S/c1-19-21(3)31(36-12-7-13-39(5,34)35)22(4)20(2)30(19)24-9-6-8-23(14-24)17-37-26-10-11-27-25(15-29(32)33)18-38-28(27)16-26/h6,8-11,14,16,25H,7,12-13,15,17-18H2,1-5H3,(H,32,33)/t25-/m1/s1
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 33n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386782
PNG
(CHEMBL2047155)
Show SMILES Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C30H32O7S/c1-19-12-26(37-24-8-10-38(33,34)11-9-24)13-20(2)30(19)22-5-3-4-21(14-22)17-35-25-6-7-27-23(15-29(31)32)18-36-28(27)16-25/h3-7,12-14,16,23-24H,8-11,15,17-18H2,1-2H3,(H,31,32)/t23-/m1/s1
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 36n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386789
PNG
(CHEMBL2047158)
Show SMILES CCS(=O)(=O)CCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H32O7S/c1-4-37(32,33)11-10-34-25-12-19(2)29(20(3)13-25)22-7-5-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h5-9,12-14,16,23H,4,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
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 37n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386790
PNG
(CHEMBL1829174 | CHEMBL2047159 | TAK-875 | US119052...)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
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 38n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386796
PNG
(CHEMBL2047165)
Show SMILES Cc1c(C)c(c(C)c(C)c1OC1CCS(=O)(=O)CC1)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C32H36O7S/c1-19-21(3)32(39-26-10-12-40(35,36)13-11-26)22(4)20(2)31(19)24-7-5-6-23(14-24)17-37-27-8-9-28-25(15-30(33)34)18-38-29(28)16-27/h5-9,14,16,25-26H,10-13,15,17-18H2,1-4H3,(H,33,34)/t25-/m1/s1
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 40n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386795
PNG
(CHEMBL2047164)
Show SMILES CCc1cc(OCCCS(C)(=O)=O)cc(CC)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C31H36O7S/c1-4-22-15-27(36-12-7-13-39(3,34)35)16-23(5-2)31(22)24-9-6-8-21(14-24)19-37-26-10-11-28-25(17-30(32)33)20-38-29(28)18-26/h6,8-11,14-16,18,25H,4-5,7,12-13,17,19-20H2,1-3H3,(H,32,33)/t25-/m1/s1
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 56n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386801
PNG
(CHEMBL2047170)
Show SMILES Cc1c(Cl)c(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H30Cl2O7S/c1-17-26(18(2)28(31)29(27(17)30)36-10-5-11-39(3,34)35)20-7-4-6-19(12-20)15-37-22-8-9-23-21(13-25(32)33)16-38-24(23)14-22/h4,6-9,12,14,21H,5,10-11,13,15-16H2,1-3H3,(H,32,33)/t21-/m1/s1
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 59n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386792
PNG
(CHEMBL2047161)
Show SMILES CN1CCC(CC1)Oc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C31H35NO5/c1-20-13-27(37-25-9-11-32(3)12-10-25)14-21(2)31(20)23-6-4-5-22(15-23)18-35-26-7-8-28-24(16-30(33)34)19-36-29(28)17-26/h4-8,13-15,17,24-25H,9-12,16,18-19H2,1-3H3,(H,33,34)/t24-/m1/s1
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 66n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386782
PNG
(CHEMBL2047155)
Show SMILES Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C30H32O7S/c1-19-12-26(37-24-8-10-38(33,34)11-9-24)13-20(2)30(19)22-5-3-4-21(14-22)17-35-25-6-7-27-23(15-29(31)32)18-36-28(27)16-25/h3-7,12-14,16,23-24H,8-11,15,17-18H2,1-2H3,(H,31,32)/t23-/m1/s1
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 83n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386784
PNG
(CHEMBL2047151)
Show SMILES Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C30H32O6/c1-19-9-25(36-18-30(3)16-33-17-30)10-20(2)29(19)22-6-4-5-21(11-22)14-34-24-7-8-26-23(12-28(31)32)15-35-27(26)13-24/h4-11,13,23H,12,14-18H2,1-3H3,(H,31,32)
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 83n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386785
PNG
(CHEMBL2047152)
Show SMILES Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C30H32O6/c1-19-9-25(36-18-30(3)16-33-17-30)10-20(2)29(19)22-6-4-5-21(11-22)14-34-24-7-8-26-23(12-28(31)32)15-35-27(26)13-24/h4-11,13,23H,12,14-18H2,1-3H3,(H,31,32)/t23-/m1/s1
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 110n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386800
PNG
(CHEMBL2047169)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H31ClO7S/c1-18-12-26(35-10-5-11-38(3,33)34)29(30)19(2)28(18)21-7-4-6-20(13-21)16-36-23-8-9-24-22(14-27(31)32)17-37-25(24)15-23/h4,6-9,12-13,15,22H,5,10-11,14,16-17H2,1-3H3,(H,31,32)/t22-/m1/s1
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 110n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386797
PNG
(CHEMBL2047166)
Show SMILES Cc1c(C)c(c(C)c(C)c1OCCCS(C)(=O)=O)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C31H36O7S/c1-19-21(3)31(36-12-7-13-39(5,34)35)22(4)20(2)30(19)24-9-6-8-23(14-24)17-37-26-10-11-27-25(15-29(32)33)18-38-28(27)16-26/h6,8-11,14,16,25H,7,12-13,15,17-18H2,1-5H3,(H,32,33)/t25-/m1/s1
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 120n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386790
PNG
(CHEMBL1829174 | CHEMBL2047159 | TAK-875 | US119052...)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
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 140n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386788
PNG
(CHEMBL2047157)
Show SMILES Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C31H34O8S/c1-20-12-26(39-19-31(34)8-10-40(35,36)11-9-31)13-21(2)30(20)23-5-3-4-22(14-23)17-37-25-6-7-27-24(15-29(32)33)18-38-28(27)16-25/h3-7,12-14,16,24,34H,8-11,15,17-19H2,1-2H3,(H,32,33)/t24-/m1/s1
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 170n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386791
PNG
(CHEMBL2047160)
Show SMILES Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C32H35NO6/c1-21-14-27(37-13-5-12-33-11-4-8-30(33)34)15-22(2)32(21)24-7-3-6-23(16-24)19-38-26-9-10-28-25(17-31(35)36)20-39-29(28)18-26/h3,6-7,9-10,14-16,18,25H,4-5,8,11-13,17,19-20H2,1-2H3,(H,35,36)/t25-/m1/s1
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 170n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386789
PNG
(CHEMBL2047158)
Show SMILES CCS(=O)(=O)CCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H32O7S/c1-4-37(32,33)11-10-34-25-12-19(2)29(20(3)13-25)22-7-5-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h5-9,12-14,16,23H,4,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
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 170n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386782
PNG
(CHEMBL2047155)
Show SMILES Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C30H32O7S/c1-19-12-26(37-24-8-10-38(33,34)11-9-24)13-20(2)30(19)22-5-3-4-21(14-22)17-35-25-6-7-27-23(15-29(31)32)18-36-28(27)16-25/h3-7,12-14,16,23-24H,8-11,15,17-18H2,1-2H3,(H,31,32)/t23-/m1/s1
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 170n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386794
PNG
(CHEMBL2047163)
Show SMILES Cc1cc(OCc2cccc3nccn23)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C33H30N2O5/c1-21-13-28(39-20-26-7-4-8-31-34-11-12-35(26)31)14-22(2)33(21)24-6-3-5-23(15-24)18-38-27-9-10-29-25(16-32(36)37)19-40-30(29)17-27/h3-15,17,25H,16,18-20H2,1-2H3,(H,36,37)/t25-/m1/s1
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 190n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386799
PNG
(CHEMBL2047168)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H31FO7S/c1-18-12-26(35-10-5-11-38(3,33)34)29(30)19(2)28(18)21-7-4-6-20(13-21)16-36-23-8-9-24-22(14-27(31)32)17-37-25(24)15-23/h4,6-9,12-13,15,22H,5,10-11,14,16-17H2,1-3H3,(H,31,32)/t22-/m1/s1
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 200n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386782
PNG
(CHEMBL2047155)
Show SMILES Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C30H32O7S/c1-19-12-26(37-24-8-10-38(33,34)11-9-24)13-20(2)30(19)22-5-3-4-21(14-22)17-35-25-6-7-27-23(15-29(31)32)18-36-28(27)16-25/h3-7,12-14,16,23-24H,8-11,15,17-18H2,1-2H3,(H,31,32)/t23-/m1/s1
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 210n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386781
PNG
(CHEMBL2047149)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H32O6/c1-4-32-10-11-33-25-12-19(2)29(20(3)13-25)22-7-5-6-21(14-22)17-34-24-8-9-26-23(15-28(30)31)18-35-27(26)16-24/h5-9,12-14,16,23H,4,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
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 240n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386798
PNG
(CHEMBL2047167)
Show SMILES Cc1cc(OC2CCS(=O)(=O)CC2)c(F)c(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C30H31FO7S/c1-18-12-27(38-23-8-10-39(34,35)11-9-23)30(31)19(2)29(18)21-5-3-4-20(13-21)16-36-24-6-7-25-22(14-28(32)33)17-37-26(25)15-24/h3-7,12-13,15,22-23H,8-11,14,16-17H2,1-2H3,(H,32,33)/t22-/m1/s1
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 270n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386786
PNG
(CHEMBL2047153)
Show SMILES Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3[C@@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C30H32O6/c1-19-9-25(36-18-30(3)16-33-17-30)10-20(2)29(19)22-6-4-5-21(11-22)14-34-24-7-8-26-23(12-28(31)32)15-35-27(26)13-24/h4-11,13,23H,12,14-18H2,1-3H3,(H,31,32)/t23-/m0/s1
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 270n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386783
PNG
(CHEMBL2047150)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3[C@@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H32O6/c1-4-32-10-11-33-25-12-19(2)29(20(3)13-25)22-7-5-6-21(14-22)17-34-24-8-9-26-23(15-28(30)31)18-35-27(26)16-24/h5-9,12-14,16,23H,4,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m0/s1
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 280n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386787
PNG
(CHEMBL2047156)
Show SMILES Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3[C@@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C30H32O7S/c1-19-12-26(37-24-8-10-38(33,34)11-9-24)13-20(2)30(19)22-5-3-4-21(14-22)17-35-25-6-7-27-23(15-29(31)32)18-36-28(27)16-25/h3-7,12-14,16,23-24H,8-11,15,17-18H2,1-2H3,(H,31,32)/t23-/m0/s1
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 300n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells a...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50382540
PNG
(CHEMBL2022577)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C29H32O6/c1-4-32-10-11-33-25-12-19(2)29(20(3)13-25)22-7-5-6-21(14-22)17-34-24-8-9-26-23(15-28(30)31)18-35-27(26)16-24/h5-9,12-14,16,23H,4,10-11,15,17-18H2,1-3H3,(H,30,31)
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 300n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386793
PNG
(CHEMBL2047162)
Show SMILES Cc1nc(C)c(COc2cc(C)c(c(C)c2)-c2cccc(COc3ccc4[C@H](CC(O)=O)COc4c3)c2)s1 |r|
Show InChI InChI=1S/C31H31NO5S/c1-18-10-26(36-17-29-20(3)32-21(4)38-29)11-19(2)31(18)23-7-5-6-22(12-23)15-35-25-8-9-27-24(13-30(33)34)16-37-28(27)14-25/h5-12,14,24H,13,15-17H2,1-4H3,(H,33,34)/t24-/m1/s1
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 360n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386796
PNG
(CHEMBL2047165)
Show SMILES Cc1c(C)c(c(C)c(C)c1OC1CCS(=O)(=O)CC1)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C32H36O7S/c1-19-21(3)32(39-26-10-12-40(35,36)13-11-26)22(4)20(2)31(19)24-7-5-6-23(14-24)17-37-27-8-9-28-25(15-30(33)34)18-38-29(28)16-27/h5-9,14,16,25-26H,10-13,15,17-18H2,1-4H3,(H,33,34)/t25-/m1/s1
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 400n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386787
PNG
(CHEMBL2047156)
Show SMILES Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3[C@@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C30H32O7S/c1-19-12-26(37-24-8-10-38(33,34)11-9-24)13-20(2)30(19)22-5-3-4-21(14-22)17-35-25-6-7-27-23(15-29(31)32)18-36-28(27)16-25/h3-7,12-14,16,23-24H,8-11,15,17-18H2,1-2H3,(H,31,32)/t23-/m0/s1
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 510n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386786
PNG
(CHEMBL2047153)
Show SMILES Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3[C@@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C30H32O6/c1-19-9-25(36-18-30(3)16-33-17-30)10-20(2)29(19)22-6-4-5-21(11-22)14-34-24-7-8-26-23(12-28(31)32)15-35-27(26)13-24/h4-11,13,23H,12,14-18H2,1-3H3,(H,31,32)/t23-/m0/s1
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 2.20E+3n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)		BDBM50386783
PNG
(CHEMBL2047150)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3[C@@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H32O6/c1-4-32-10-11-33-25-12-19(2)29(20(3)13-25)22-7-5-6-21(14-22)17-34-24-8-9-26-23(15-28(30)31)18-35-27(26)16-24/h5-9,12-14,16,23H,4,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m0/s1
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 7.40E+3n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells aft...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386794
PNG
(CHEMBL2047163)
Show SMILES Cc1cc(OCc2cccc3nccn23)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C33H30N2O5/c1-21-13-28(39-20-26-7-4-8-31-34-11-12-35(26)31)14-22(2)33(21)24-6-3-5-23(15-24)18-38-27-9-10-29-25(16-32(36)37)19-40-30(29)17-27/h3-15,17,25H,16,18-20H2,1-2H3,(H,36,37)/t25-/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386795
PNG
(CHEMBL2047164)
Show SMILES CCc1cc(OCCCS(C)(=O)=O)cc(CC)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C31H36O7S/c1-4-22-15-27(36-12-7-13-39(3,34)35)16-23(5-2)31(22)24-9-6-8-21(14-24)19-37-26-10-11-28-25(17-30(32)33)20-38-29(28)18-26/h6,8-11,14-16,18,25H,4-5,7,12-13,17,19-20H2,1-3H3,(H,32,33)/t25-/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386787
PNG
(CHEMBL2047156)
Show SMILES Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3[C@@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C30H32O7S/c1-19-12-26(37-24-8-10-38(33,34)11-9-24)13-20(2)30(19)22-5-3-4-21(14-22)17-35-25-6-7-27-23(15-29(31)32)18-36-28(27)16-25/h3-7,12-14,16,23-24H,8-11,15,17-18H2,1-2H3,(H,31,32)/t23-/m0/s1
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n/an/an/an/a 290n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386801
PNG
(CHEMBL2047170)
Show SMILES Cc1c(Cl)c(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H30Cl2O7S/c1-17-26(18(2)28(31)29(27(17)30)36-10-5-11-39(3,34)35)20-7-4-6-19(12-20)15-37-22-8-9-23-21(13-25(32)33)16-38-24(23)14-22/h4,6-9,12,14,21H,5,10-11,13,15-16H2,1-3H3,(H,32,33)/t21-/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386790
PNG
(CHEMBL1829174 | CHEMBL2047159 | TAK-875 | US119052...)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
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n/an/an/an/a 16n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386797
PNG
(CHEMBL2047166)
Show SMILES Cc1c(C)c(c(C)c(C)c1OCCCS(C)(=O)=O)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C31H36O7S/c1-19-21(3)31(36-12-7-13-39(5,34)35)22(4)20(2)30(19)24-9-6-8-23(14-24)17-37-26-10-11-27-25(15-29(32)33)18-38-28(27)16-26/h6,8-11,14,16,25H,7,12-13,15,17-18H2,1-5H3,(H,32,33)/t25-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386785
PNG
(CHEMBL2047152)
Show SMILES Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C30H32O6/c1-19-9-25(36-18-30(3)16-33-17-30)10-20(2)29(19)22-6-4-5-21(11-22)14-34-24-7-8-26-23(12-28(31)32)15-35-27(26)13-24/h4-11,13,23H,12,14-18H2,1-3H3,(H,31,32)/t23-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386798
PNG
(CHEMBL2047167)
Show SMILES Cc1cc(OC2CCS(=O)(=O)CC2)c(F)c(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C30H31FO7S/c1-18-12-27(38-23-8-10-39(34,35)11-9-23)30(31)19(2)29(18)21-5-3-4-20(13-21)16-36-24-6-7-25-22(14-28(32)33)17-37-26(25)15-24/h3-7,12-13,15,22-23H,8-11,14,16-17H2,1-2H3,(H,32,33)/t22-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386783
PNG
(CHEMBL2047150)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3[C@@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H32O6/c1-4-32-10-11-33-25-12-19(2)29(20(3)13-25)22-7-5-6-21(14-22)17-34-24-8-9-26-23(15-28(30)31)18-35-27(26)16-24/h5-9,12-14,16,23H,4,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386786
PNG
(CHEMBL2047153)
Show SMILES Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3[C@@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C30H32O6/c1-19-9-25(36-18-30(3)16-33-17-30)10-20(2)29(19)22-6-4-5-21(11-22)14-34-24-7-8-26-23(12-28(31)32)15-35-27(26)13-24/h4-11,13,23H,12,14-18H2,1-3H3,(H,31,32)/t23-/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386789
PNG
(CHEMBL2047158)
Show SMILES CCS(=O)(=O)CCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H32O7S/c1-4-37(32,33)11-10-34-25-12-19(2)29(20(3)13-25)22-7-5-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h5-9,12-14,16,23H,4,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386793
PNG
(CHEMBL2047162)
Show SMILES Cc1nc(C)c(COc2cc(C)c(c(C)c2)-c2cccc(COc3ccc4[C@H](CC(O)=O)COc4c3)c2)s1 |r|
Show InChI InChI=1S/C31H31NO5S/c1-18-10-26(36-17-29-20(3)32-21(4)38-29)11-19(2)31(18)23-7-5-6-22(12-23)15-35-25-8-9-27-24(13-30(33)34)16-37-28(27)14-25/h5-12,14,24H,13,15-17H2,1-4H3,(H,33,34)/t24-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386796
PNG
(CHEMBL2047165)
Show SMILES Cc1c(C)c(c(C)c(C)c1OC1CCS(=O)(=O)CC1)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C32H36O7S/c1-19-21(3)32(39-26-10-12-40(35,36)13-11-26)22(4)20(2)31(19)24-7-5-6-23(14-24)17-37-27-8-9-28-25(15-30(33)34)18-38-29(28)16-27/h5-9,14,16,25-26H,10-13,15,17-18H2,1-4H3,(H,33,34)/t25-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386799
PNG
(CHEMBL2047168)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H31FO7S/c1-18-12-26(35-10-5-11-38(3,33)34)29(30)19(2)28(18)21-7-4-6-20(13-21)16-36-23-8-9-24-22(14-27(31)32)17-37-25(24)15-23/h4,6-9,12-13,15,22H,5,10-11,14,16-17H2,1-3H3,(H,31,32)/t22-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386781
PNG
(CHEMBL2047149)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H32O6/c1-4-32-10-11-33-25-12-19(2)29(20(3)13-25)22-7-5-6-21(14-22)17-34-24-8-9-26-23(15-28(30)31)18-35-27(26)16-24/h5-9,12-14,16,23H,4,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386784
PNG
(CHEMBL2047151)
Show SMILES Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C30H32O6/c1-19-9-25(36-18-30(3)16-33-17-30)10-20(2)29(19)22-6-4-5-21(11-22)14-34-24-7-8-26-23(12-28(31)32)15-35-27(26)13-24/h4-11,13,23H,12,14-18H2,1-3H3,(H,31,32)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386791
PNG
(CHEMBL2047160)
Show SMILES Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C32H35NO6/c1-21-14-27(37-13-5-12-33-11-4-8-30(33)34)15-22(2)32(21)24-7-3-6-23(16-24)19-38-26-9-10-28-25(17-31(35)36)20-39-29(28)18-26/h3,6-7,9-10,14-16,18,25H,4-5,8,11-13,17,19-20H2,1-2H3,(H,35,36)/t25-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386792
PNG
(CHEMBL2047161)
Show SMILES CN1CCC(CC1)Oc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C31H35NO5/c1-20-13-27(37-25-9-11-32(3)12-10-25)14-21(2)31(20)23-6-4-5-22(15-23)18-35-26-7-8-28-24(16-30(33)34)19-36-29(28)17-26/h4-8,13-15,17,24-25H,9-12,16,18-19H2,1-3H3,(H,33,34)/t24-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50382540
PNG
(CHEMBL2022577)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C29H32O6/c1-4-32-10-11-33-25-12-19(2)29(20(3)13-25)22-7-5-6-21(14-22)17-34-24-8-9-26-23(15-28(30)31)18-35-27(26)16-24/h5-9,12-14,16,23H,4,10-11,15,17-18H2,1-3H3,(H,30,31)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386782
PNG
(CHEMBL2047155)
Show SMILES Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C30H32O7S/c1-19-12-26(37-24-8-10-38(33,34)11-9-24)13-20(2)30(19)22-5-3-4-21(14-22)17-35-25-6-7-27-23(15-29(31)32)18-36-28(27)16-25/h3-7,12-14,16,23-24H,8-11,15,17-18H2,1-2H3,(H,31,32)/t23-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386788
PNG
(CHEMBL2047157)
Show SMILES Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C31H34O8S/c1-20-12-26(39-19-31(34)8-10-40(35,36)11-9-31)13-21(2)30(20)23-5-3-4-22(14-23)17-37-25-6-7-27-24(15-29(32)33)18-38-28(27)16-25/h3-7,12-14,16,24,34H,8-11,15,17-19H2,1-2H3,(H,32,33)/t24-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386782
PNG
(CHEMBL2047155)
Show SMILES Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C30H32O7S/c1-19-12-26(37-24-8-10-38(33,34)11-9-24)13-20(2)30(19)22-5-3-4-21(14-22)17-35-25-6-7-27-23(15-29(31)32)18-36-28(27)16-25/h3-7,12-14,16,23-24H,8-11,15,17-18H2,1-2H3,(H,31,32)/t23-/m1/s1
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n/an/an/an/a 39n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50386800
PNG
(CHEMBL2047169)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H31ClO7S/c1-18-12-26(35-10-5-11-38(3,33)34)29(30)19(2)28(18)21-7-4-6-20(13-21)16-36-23-8-9-24-22(14-27(31)32)17-37-25(24)15-23/h4,6-9,12-13,15,22H,5,10-11,14,16-17H2,1-3H3,(H,31,32)/t22-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...

J Med Chem 55: 3960-74 (2012)


Article DOI: 10.1021/jm300170m
BindingDB Entry DOI: 10.7270/Q23779R6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%