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Compile Data Set for Download or QSAR

Found 76 hits Enz. Inhib. hit(s) with all data for entry = 50039702   
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))
BDBM50382530
PNG
(CHEMBL2022256)
Show SMILES Cc1cccc(C)c1-c1cc(COc2ccc3C(CC(O)=O)COc3c2)ccc1OCc1ccccc1 |(29.58,-44.67,;29.58,-46.21,;28.25,-46.98,;28.26,-48.52,;29.6,-49.29,;30.93,-48.51,;32.27,-49.27,;30.92,-46.98,;32.25,-46.2,;33.58,-46.97,;34.91,-46.2,;36.24,-46.97,;37.58,-46.19,;38.91,-46.96,;38.91,-48.5,;40.25,-49.26,;41.58,-48.48,;43.05,-48.94,;43.53,-50.41,;45.04,-50.72,;45.53,-52.18,;46.06,-49.56,;43.94,-47.69,;43.03,-46.45,;41.57,-46.94,;40.23,-46.18,;34.9,-44.66,;33.56,-43.89,;32.23,-44.67,;30.89,-43.91,;30.88,-42.37,;29.54,-41.61,;29.53,-40.08,;28.19,-39.32,;26.87,-40.1,;26.88,-41.65,;28.22,-42.4,)|
Show InChI InChI=1S/C32H30O5/c1-21-7-6-8-22(2)32(21)28-15-24(11-14-29(28)36-18-23-9-4-3-5-10-23)19-35-26-12-13-27-25(16-31(33)34)20-37-30(27)17-26/h3-15,17,25H,16,18-20H2,1-2H3,(H,33,34)
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6.90n/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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382539
PNG
(CHEMBL2022576)
Show SMILES Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C32H30O5/c1-21-13-28(36-18-23-7-4-3-5-8-23)14-22(2)32(21)25-10-6-9-24(15-25)19-35-27-11-12-29-26(16-31(33)34)20-37-30(29)17-27/h3-15,17,26H,16,18-20H2,1-2H3,(H,33,34)
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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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
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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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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382538
PNG
(CHEMBL2022258)
Show SMILES Cc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C26H26O4/c1-16-9-17(2)26(18(3)10-16)20-6-4-5-19(11-20)14-29-22-7-8-23-21(12-25(27)28)15-30-24(23)13-22/h4-11,13,21H,12,14-15H2,1-3H3,(H,27,28)
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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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382534
PNG
(CHEMBL2022252)
Show SMILES Cc1ccc2ccccc2c1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C28H24O4/c1-18-9-10-20-6-2-3-8-25(20)28(18)21-7-4-5-19(13-21)16-31-23-11-12-24-22(14-27(29)30)17-32-26(24)15-23/h2-13,15,22H,14,16-17H2,1H3,(H,29,30)
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41n/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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382528
PNG
(CHEMBL2022584)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(CNc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C29H33NO5/c1-4-33-10-11-34-25-12-19(2)29(20(3)13-25)22-7-5-6-21(14-22)17-30-24-8-9-26-23(15-28(31)32)18-35-27(26)16-24/h5-9,12-14,16,23,30H,4,10-11,15,17-18H2,1-3H3,(H,31,32)
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43n/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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
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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54n/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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382537
PNG
(CHEMBL2022257)
Show SMILES Cc1ccc(c(C)c1)-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C25H24O4/c1-16-6-8-22(17(2)10-16)19-5-3-4-18(11-19)14-28-21-7-9-23-20(12-25(26)27)15-29-24(23)13-21/h3-11,13,20H,12,14-15H2,1-2H3,(H,26,27)
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57n/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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382542
PNG
(CHEMBL2022244)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCCc3c2)c1
Show InChI InChI=1S/C27H28O3/c1-18-6-3-7-19(2)27(18)23-11-4-8-20(14-23)17-30-24-12-13-25-21(15-24)9-5-10-22(25)16-26(28)29/h3-4,6-8,11-15,22H,5,9-10,16-17H2,1-2H3,(H,28,29)
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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 human GPR40 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382526
PNG
(CHEMBL2022582)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3C(CC(O)=O)OCc3c2)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(15-24)18-35-27(26)16-28(30)31/h5-9,12-15,27H,4,10-11,16-18H2,1-3H3,(H,30,31)
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67n/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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382539
PNG
(CHEMBL2022576)
Show SMILES Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C32H30O5/c1-21-13-28(36-18-23-7-4-3-5-8-23)14-22(2)32(21)25-10-6-9-24(15-25)19-35-27-11-12-29-26(16-31(33)34)20-37-30(29)17-27/h3-15,17,26H,16,18-20H2,1-2H3,(H,33,34)
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100n/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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382528
PNG
(CHEMBL2022584)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(CNc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C29H33NO5/c1-4-33-10-11-34-25-12-19(2)29(20(3)13-25)22-7-5-6-21(14-22)17-30-24-8-9-26-23(15-28(31)32)18-35-27(26)16-24/h5-9,12-14,16,23,30H,4,10-11,15,17-18H2,1-3H3,(H,31,32)
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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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382521
PNG
(CHEMBL2022255)
Show SMILES COc1ccc(COc2ccc3C(CC(O)=O)COc3c2)cc1-c1c(C)cccc1C |(11.32,-39.26,;11.33,-40.8,;12.67,-41.55,;13.99,-40.78,;15.34,-41.54,;15.34,-43.08,;16.68,-43.85,;18.01,-43.07,;19.35,-43.84,;19.35,-45.38,;20.68,-46.15,;22.02,-45.36,;23.48,-45.83,;23.97,-47.29,;25.48,-47.6,;25.97,-49.06,;26.5,-46.45,;24.38,-44.58,;23.47,-43.34,;22.01,-43.82,;20.67,-43.06,;14.01,-43.86,;12.68,-43.09,;11.36,-43.86,;10.02,-43.09,;10.01,-41.55,;8.69,-43.86,;8.69,-45.41,;10.04,-46.17,;11.36,-45.39,;12.7,-46.15,)|
Show InChI InChI=1S/C26H26O5/c1-16-5-4-6-17(2)26(16)22-11-18(7-10-23(22)29-3)14-30-20-8-9-21-19(12-25(27)28)15-31-24(21)13-20/h4-11,13,19H,12,14-15H2,1-3H3,(H,27,28)
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130n/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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382538
PNG
(CHEMBL2022258)
Show SMILES Cc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C26H26O4/c1-16-9-17(2)26(18(3)10-16)20-6-4-5-19(11-20)14-29-22-7-8-23-21(12-25(27)28)15-30-24(23)13-22/h4-11,13,21H,12,14-15H2,1-3H3,(H,27,28)
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130n/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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382530
PNG
(CHEMBL2022256)
Show SMILES Cc1cccc(C)c1-c1cc(COc2ccc3C(CC(O)=O)COc3c2)ccc1OCc1ccccc1 |(29.58,-44.67,;29.58,-46.21,;28.25,-46.98,;28.26,-48.52,;29.6,-49.29,;30.93,-48.51,;32.27,-49.27,;30.92,-46.98,;32.25,-46.2,;33.58,-46.97,;34.91,-46.2,;36.24,-46.97,;37.58,-46.19,;38.91,-46.96,;38.91,-48.5,;40.25,-49.26,;41.58,-48.48,;43.05,-48.94,;43.53,-50.41,;45.04,-50.72,;45.53,-52.18,;46.06,-49.56,;43.94,-47.69,;43.03,-46.45,;41.57,-46.94,;40.23,-46.18,;34.9,-44.66,;33.56,-43.89,;32.23,-44.67,;30.89,-43.91,;30.88,-42.37,;29.54,-41.61,;29.53,-40.08,;28.19,-39.32,;26.87,-40.1,;26.88,-41.65,;28.22,-42.4,)|
Show InChI InChI=1S/C32H30O5/c1-21-7-6-8-22(2)32(21)28-15-24(11-14-29(28)36-18-23-9-4-3-5-10-23)19-35-26-12-13-27-25(16-31(33)34)20-37-30(27)17-26/h3-15,17,25H,16,18-20H2,1-2H3,(H,33,34)
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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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382545
PNG
(CHEMBL2022247)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C25H24O4/c1-16-5-3-6-17(2)25(16)19-8-4-7-18(11-19)14-28-21-9-10-22-20(12-24(26)27)15-29-23(22)13-21/h3-11,13,20H,12,14-15H2,1-2H3,(H,26,27)
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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 human GPR40 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
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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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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382541
PNG
(CHEMBL2022243)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCc3c2)c1
Show InChI InChI=1S/C26H26O3/c1-17-5-3-6-18(2)26(17)22-8-4-7-19(13-22)16-29-23-11-12-24-20(14-23)9-10-21(24)15-25(27)28/h3-8,11-14,21H,9-10,15-16H2,1-2H3,(H,27,28)
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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 human GPR40 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382532
PNG
(CHEMBL2022248)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3CC(CCOc3c2)C(O)=O)c1
Show InChI InChI=1S/C26H26O4/c1-17-5-3-6-18(2)25(17)21-8-4-7-19(13-21)16-30-23-10-9-20-14-22(26(27)28)11-12-29-24(20)15-23/h3-10,13,15,22H,11-12,14,16H2,1-2H3,(H,27,28)
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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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382523
PNG
(CHEMBL2022579)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3CC(CC(O)=O)Cc3c2)c1
Show InChI InChI=1S/C30H34O5/c1-4-33-10-11-34-28-12-20(2)30(21(3)13-28)25-7-5-6-22(14-25)19-35-27-9-8-24-15-23(17-29(31)32)16-26(24)18-27/h5-9,12-14,18,23H,4,10-11,15-17,19H2,1-3H3,(H,31,32)
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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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382524
PNG
(CHEMBL2022580)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3CC(CCc3c2)C(O)=O)c1
Show InChI InChI=1S/C30H34O5/c1-4-33-12-13-34-28-14-20(2)29(21(3)15-28)25-7-5-6-22(16-25)19-35-27-11-10-23-17-26(30(31)32)9-8-24(23)18-27/h5-7,10-11,14-16,18,26H,4,8-9,12-13,17,19H2,1-3H3,(H,31,32)
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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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382535
PNG
(CHEMBL2022253)
Show SMILES OC(=O)CC1COc2cc(OCc3cccc(c3)-c3csc4ccccc34)ccc12
Show InChI InChI=1S/C25H20O4S/c26-25(27)11-18-14-29-23-12-19(8-9-20(18)23)28-13-16-4-3-5-17(10-16)22-15-30-24-7-2-1-6-21(22)24/h1-10,12,15,18H,11,13-14H2,(H,26,27)
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290n/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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382526
PNG
(CHEMBL2022582)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3C(CC(O)=O)OCc3c2)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(15-24)18-35-27(26)16-28(30)31/h5-9,12-15,27H,4,10-11,16-18H2,1-3H3,(H,30,31)
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390n/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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382534
PNG
(CHEMBL2022252)
Show SMILES Cc1ccc2ccccc2c1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C28H24O4/c1-18-9-10-20-6-2-3-8-25(20)28(18)21-7-4-5-19(13-21)16-31-23-11-12-24-22(14-27(29)30)17-32-26(24)15-23/h2-13,15,22H,14,16-17H2,1H3,(H,29,30)
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470n/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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382541
PNG
(CHEMBL2022243)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCc3c2)c1
Show InChI InChI=1S/C26H26O3/c1-17-5-3-6-18(2)26(17)22-8-4-7-19(13-22)16-29-23-11-12-24-20(14-23)9-10-21(24)15-25(27)28/h3-8,11-14,21H,9-10,15-16H2,1-2H3,(H,27,28)
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520n/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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382536
PNG
(CHEMBL2022254)
Show SMILES OC(=O)CC1COc2cc(OCc3cccc(c3)-c3ccc4sccc4c3)ccc12
Show InChI InChI=1S/C25H20O4S/c26-25(27)12-20-15-29-23-13-21(5-6-22(20)23)28-14-16-2-1-3-17(10-16)18-4-7-24-19(11-18)8-9-30-24/h1-11,13,20H,12,14-15H2,(H,26,27)
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570n/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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382545
PNG
(CHEMBL2022247)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C25H24O4/c1-16-5-3-6-17(2)25(16)19-8-4-7-18(11-19)14-28-21-9-10-22-20(12-24(26)27)15-29-23(22)13-21/h3-11,13,20H,12,14-15H2,1-2H3,(H,26,27)
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1.10E+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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382533
PNG
(CHEMBL2022249)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)Cc3c2)c1
Show InChI InChI=1S/C25H24O3/c1-16-5-3-6-17(2)25(16)19-8-4-7-18(11-19)15-28-22-9-10-23-20(13-22)12-21(23)14-24(26)27/h3-11,13,21H,12,14-15H2,1-2H3,(H,26,27)
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1.20E+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 human GPR40 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382537
PNG
(CHEMBL2022257)
Show SMILES Cc1ccc(c(C)c1)-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show InChI InChI=1S/C25H24O4/c1-16-6-8-22(17(2)10-16)19-5-3-4-18(11-19)14-28-21-7-9-23-20(12-25(26)27)15-29-24(23)13-21/h3-11,13,20H,12,14-15H2,1-2H3,(H,26,27)
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1.60E+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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382521
PNG
(CHEMBL2022255)
Show SMILES COc1ccc(COc2ccc3C(CC(O)=O)COc3c2)cc1-c1c(C)cccc1C |(11.32,-39.26,;11.33,-40.8,;12.67,-41.55,;13.99,-40.78,;15.34,-41.54,;15.34,-43.08,;16.68,-43.85,;18.01,-43.07,;19.35,-43.84,;19.35,-45.38,;20.68,-46.15,;22.02,-45.36,;23.48,-45.83,;23.97,-47.29,;25.48,-47.6,;25.97,-49.06,;26.5,-46.45,;24.38,-44.58,;23.47,-43.34,;22.01,-43.82,;20.67,-43.06,;14.01,-43.86,;12.68,-43.09,;11.36,-43.86,;10.02,-43.09,;10.01,-41.55,;8.69,-43.86,;8.69,-45.41,;10.04,-46.17,;11.36,-45.39,;12.7,-46.15,)|
Show InChI InChI=1S/C26H26O5/c1-16-5-4-6-17(2)26(16)22-11-18(7-10-23(22)29-3)14-30-20-8-9-21-19(12-25(27)28)15-31-24(21)13-20/h4-11,13,19H,12,14-15H2,1-3H3,(H,27,28)
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1.60E+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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382525
PNG
(CHEMBL2022581)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3CC(CC(O)=O)CCc3c2)c1
Show InChI InChI=1S/C31H36O5/c1-4-34-12-13-35-29-14-21(2)31(22(3)15-29)27-7-5-6-24(17-27)20-36-28-11-10-25-16-23(18-30(32)33)8-9-26(25)19-28/h5-7,10-11,14-15,17,19,23H,4,8-9,12-13,16,18,20H2,1-3H3,(H,32,33)
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2.10E+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 human GPR40 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382543
PNG
(CHEMBL2022245)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCCCc3c2)c1
Show InChI InChI=1S/C28H30O3/c1-19-7-5-8-20(2)28(19)24-12-6-9-21(15-24)18-31-25-13-14-26-22(16-25)10-3-4-11-23(26)17-27(29)30/h5-9,12-16,23H,3-4,10-11,17-18H2,1-2H3,(H,29,30)
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2.40E+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 human GPR40 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382542
PNG
(CHEMBL2022244)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCCc3c2)c1
Show InChI InChI=1S/C27H28O3/c1-18-6-3-7-19(2)27(18)23-11-4-8-20(14-23)17-30-24-12-13-25-21(15-24)9-5-10-22(25)16-26(28)29/h3-4,6-8,11-15,22H,5,9-10,16-17H2,1-2H3,(H,28,29)
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3.70E+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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382544
PNG
(CHEMBL2022246)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3c(CC(O)=O)coc3c2)c1
Show InChI InChI=1S/C25H22O4/c1-16-5-3-6-17(2)25(16)19-8-4-7-18(11-19)14-28-21-9-10-22-20(12-24(26)27)15-29-23(22)13-21/h3-11,13,15H,12,14H2,1-2H3,(H,26,27)
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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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382536
PNG
(CHEMBL2022254)
Show SMILES OC(=O)CC1COc2cc(OCc3cccc(c3)-c3ccc4sccc4c3)ccc12
Show InChI InChI=1S/C25H20O4S/c26-25(27)12-20-15-29-23-13-21(5-6-22(20)23)28-14-16-2-1-3-17(10-16)18-4-7-24-19(11-18)8-9-30-24/h1-11,13,20H,12,14-15H2,(H,26,27)
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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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382535
PNG
(CHEMBL2022253)
Show SMILES OC(=O)CC1COc2cc(OCc3cccc(c3)-c3csc4ccccc34)ccc12
Show InChI InChI=1S/C25H20O4S/c26-25(27)11-18-14-29-23-12-19(8-9-20(18)23)28-13-16-4-3-5-17(10-16)22-15-30-24-7-2-1-6-21(22)24/h1-10,12,15,18H,11,13-14H2,(H,26,27)
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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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382533
PNG
(CHEMBL2022249)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)Cc3c2)c1
Show InChI InChI=1S/C25H24O3/c1-16-5-3-6-17(2)25(16)19-8-4-7-18(11-19)15-28-22-9-10-23-20(13-22)12-21(23)14-24(26)27/h3-11,13,21H,12,14-15H2,1-2H3,(H,26,27)
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>1.00E+4n/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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382532
PNG
(CHEMBL2022248)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3CC(CCOc3c2)C(O)=O)c1
Show InChI InChI=1S/C26H26O4/c1-17-5-3-6-18(2)25(17)21-8-4-7-19(13-21)16-30-23-10-9-20-14-22(26(27)28)11-12-29-24(20)15-23/h3-10,13,15,22H,11-12,14,16H2,1-2H3,(H,27,28)
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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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382544
PNG
(CHEMBL2022246)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3c(CC(O)=O)coc3c2)c1
Show InChI InChI=1S/C25H22O4/c1-16-5-3-6-17(2)25(16)19-8-4-7-18(11-19)14-28-21-9-10-22-20(12-24(26)27)15-29-23(22)13-21/h3-11,13,15H,12,14H2,1-2H3,(H,26,27)
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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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382543
PNG
(CHEMBL2022245)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCCCc3c2)c1
Show InChI InChI=1S/C28H30O3/c1-19-7-5-8-20(2)28(19)24-12-6-9-21(15-24)18-31-25-13-14-26-22(16-25)10-3-4-11-23(26)17-27(29)30/h5-9,12-16,23H,3-4,10-11,17-18H2,1-2H3,(H,29,30)
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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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382527
PNG
(CHEMBL2022583)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3N(CC(O)=O)C(=O)Cc3c2)c1
Show InChI InChI=1S/C29H31NO6/c1-4-34-10-11-35-25-12-19(2)29(20(3)13-25)22-7-5-6-21(14-22)18-36-24-8-9-26-23(15-24)16-27(31)30(26)17-28(32)33/h5-9,12-15H,4,10-11,16-18H2,1-3H3,(H,32,33)
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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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382522
PNG
(CHEMBL2022578)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3CC(Cc3c2)C(O)=O)c1
Show InChI InChI=1S/C29H32O5/c1-4-32-10-11-33-27-12-19(2)28(20(3)13-27)23-7-5-6-21(14-23)18-34-26-9-8-22-15-25(29(30)31)16-24(22)17-26/h5-9,12-14,17,25H,4,10-11,15-16,18H2,1-3H3,(H,30,31)
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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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382529
PNG
(CHEMBL2022251)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3n(CC(O)=O)ccc3c2)c1
Show InChI InChI=1S/C25H23NO3/c1-17-5-3-6-18(2)25(17)21-8-4-7-19(13-21)16-29-22-9-10-23-20(14-22)11-12-26(23)15-24(27)28/h3-14H,15-16H2,1-2H3,(H,27,28)
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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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382531
PNG
(CHEMBL2022250)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCc3n2)c1
Show InChI InChI=1S/C25H25NO3/c1-16-5-3-6-17(2)25(16)20-8-4-7-18(13-20)15-29-23-12-10-21-19(14-24(27)28)9-11-22(21)26-23/h3-8,10,12-13,19H,9,11,14-15H2,1-2H3,(H,27,28)
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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 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382531
PNG
(CHEMBL2022250)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCc3n2)c1
Show InChI InChI=1S/C25H25NO3/c1-16-5-3-6-17(2)25(16)20-8-4-7-18(13-20)15-29-23-12-10-21-19(14-24(27)28)9-11-22(21)26-23/h3-8,10,12-13,19H,9,11,14-15H2,1-2H3,(H,27,28)
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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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382529
PNG
(CHEMBL2022251)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3n(CC(O)=O)ccc3c2)c1
Show InChI InChI=1S/C25H23NO3/c1-17-5-3-6-18(2)25(17)21-8-4-7-19(13-21)16-29-22-9-10-23-20(14-22)11-12-26(23)15-24(27)28/h3-14H,15-16H2,1-2H3,(H,27,28)
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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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382527
PNG
(CHEMBL2022583)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3N(CC(O)=O)C(=O)Cc3c2)c1
Show InChI InChI=1S/C29H31NO6/c1-4-34-10-11-35-25-12-19(2)29(20(3)13-25)22-7-5-6-21(14-22)18-36-24-8-9-26-23(15-24)16-27(31)30(26)17-28(32)33/h5-9,12-15H,4,10-11,16-18H2,1-3H3,(H,32,33)
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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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382525
PNG
(CHEMBL2022581)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3CC(CC(O)=O)CCc3c2)c1
Show InChI InChI=1S/C31H36O5/c1-4-34-12-13-35-29-14-21(2)31(22(3)15-29)27-7-5-6-24(17-27)20-36-28-11-10-25-16-23(18-30(32)33)8-9-26(25)19-28/h5-7,10-11,14-15,17,19,23H,4,8-9,12-13,16,18,20H2,1-3H3,(H,32,33)
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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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382524
PNG
(CHEMBL2022580)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3CC(CCc3c2)C(O)=O)c1
Show InChI InChI=1S/C30H34O5/c1-4-33-12-13-34-28-14-20(2)29(21(3)15-28)25-7-5-6-22(16-25)19-35-27-11-10-23-17-26(30(31)32)9-8-24(23)18-27/h5-7,10-11,14-16,18,26H,4,8-9,12-13,17,19H2,1-3H3,(H,31,32)
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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 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
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