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PubMed code 28112924

Compile data set for download or QSAR
Found 149 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))		BDBM50267028
PNG
(CHEMBL4073525)
Show SMILES Cc1cc(OCc2ccccc2)ccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C27H26F3NO4/c1-18-13-24(34-17-19-5-3-2-4-6-19)11-12-25(18)35-23-9-7-21(8-10-23)31-16-20(27(28,29)30)14-22(31)15-26(32)33/h2-13,20,22H,14-17H2,1H3,(H,32,33)/t20-,22-/m0/s1
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 10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267031
PNG
(CHEMBL4079930)
Show SMILES Cc1c(Cl)cccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C20H19ClF3NO3/c1-12-17(21)3-2-4-18(12)28-16-7-5-14(6-8-16)25-11-13(20(22,23)24)9-15(25)10-19(26)27/h2-8,13,15H,9-11H2,1H3,(H,26,27)/t13-,15-/m0/s1
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 13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267009
PNG
(CHEMBL4089171)
Show SMILES Cc1ccccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F3NO3/c1-13-4-2-3-5-18(13)27-17-8-6-15(7-9-17)24-12-14(20(21,22)23)10-16(24)11-19(25)26/h2-9,14,16H,10-12H2,1H3,(H,25,26)/t14-,16-/m0/s1
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 35n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267029
PNG
(CHEMBL4069191)
Show SMILES COc1ccc(Oc2ccc(cc2)N2C[C@H](C[C@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C21H22F3NO4/c1-13-9-18(28-2)7-8-19(13)29-17-5-3-15(4-6-17)25-12-14(21(22,23)24)10-16(25)11-20(26)27/h3-9,14,16H,10-12H2,1-2H3,(H,26,27)/t14-,16-/m0/s1
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 39n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267010
PNG
(CHEMBL4082395)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@H](C[C@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C28H27F4NO3/c1-17-11-20(25-15-24(36-2)9-10-26(25)29)6-5-19(17)12-18-3-7-22(8-4-18)33-16-21(28(30,31)32)13-23(33)14-27(34)35/h3-11,15,21,23H,12-14,16H2,1-2H3,(H,34,35)/t21-,23-/m0/s1
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 45n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267117
PNG
(CHEMBL4060499)
Show SMILES COc1ccc(F)c(Cc2cccc(Oc3ccc(cc3)N3C[C@H](C[C@H]3CC(O)=O)C(F)(F)F)c2C)c1 |r|
Show InChI InChI=1S/C28H27F4NO4/c1-17-18(12-19-13-24(36-2)10-11-25(19)29)4-3-5-26(17)37-23-8-6-21(7-9-23)33-16-20(28(30,31)32)14-22(33)15-27(34)35/h3-11,13,20,22H,12,14-16H2,1-2H3,(H,34,35)/t20-,22-/m0/s1
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 49n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267030
PNG
(CHEMBL4090240)
Show SMILES Cc1cccc(Oc2ccc(cc2)N2C[C@H](C[C@H]2CC(O)=O)C(F)(F)F)c1C |r|
Show InChI InChI=1S/C21H22F3NO3/c1-13-4-3-5-19(14(13)2)28-18-8-6-16(7-9-18)25-12-15(21(22,23)24)10-17(25)11-20(26)27/h3-9,15,17H,10-12H2,1-2H3,(H,26,27)/t15-,17-/m0/s1
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 60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267044
PNG
(CHEMBL4069764)
Show SMILES Cc1ccccc1Cc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3NO2/c1-14-4-2-3-5-16(14)10-15-6-8-18(9-7-15)25-13-17(21(22,23)24)11-19(25)12-20(26)27/h2-9,17,19H,10-13H2,1H3,(H,26,27)/t17-,19-/m0/s1
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 73n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267039
PNG
(CHEMBL4090766)
Show SMILES Cc1ccccc1Cc1ccc(cc1)N1C[C@@H](F)C[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C20H22FNO2/c1-14-4-2-3-5-16(14)10-15-6-8-18(9-7-15)22-13-17(21)11-19(22)12-20(23)24/h2-9,17,19H,10-13H2,1H3,(H,23,24)/t17-,19-/m0/s1
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 180n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267035
PNG
(CHEMBL4071899)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2CCC[C@H]2CC(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C27H28FNO3/c1-18-14-21(25-17-24(32-2)11-12-26(25)28)8-7-20(18)15-19-5-9-22(10-6-19)29-13-3-4-23(29)16-27(30)31/h5-12,14,17,23H,3-4,13,15-16H2,1-2H3,(H,30,31)/t23-/m0/s1
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 310n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267049
PNG
(CHEMBL4095599)
Show SMILES C[C@H]1CCN([C@@H]1CC(O)=O)c1ccc(Cc2ccccc2C)cc1 |r|
Show InChI InChI=1S/C21H25NO2/c1-15-5-3-4-6-18(15)13-17-7-9-19(10-8-17)22-12-11-16(2)20(22)14-21(23)24/h3-10,16,20H,11-14H2,1-2H3,(H,23,24)/t16-,20+/m0/s1
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 310n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267038
PNG
(CHEMBL4061093)
Show SMILES C[C@H]1C[C@@H](CC(O)=O)N(C1)c1ccc(Cc2ccccc2C)cc1 |r|
Show InChI InChI=1S/C21H25NO2/c1-15-11-20(13-21(23)24)22(14-15)19-9-7-17(8-10-19)12-18-6-4-3-5-16(18)2/h3-10,15,20H,11-14H2,1-2H3,(H,23,24)/t15-,20-/m0/s1
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 360n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267046
PNG
(CHEMBL4103729)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C19H19Cl2NO3/c20-14-4-3-13(18(21)10-14)12-25-17-7-5-15(6-8-17)22-9-1-2-16(22)11-19(23)24/h3-8,10,16H,1-2,9,11-12H2,(H,23,24)/t16-/m0/s1
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 890n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267118
PNG
(CHEMBL4096887)
Show SMILES Cc1ccccc1Cc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C20H23NO2/c1-15-5-2-3-6-17(15)13-16-8-10-18(11-9-16)21-12-4-7-19(21)14-20(22)23/h2-3,5-6,8-11,19H,4,7,12-14H2,1H3,(H,22,23)/t19-/m0/s1
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 1.30E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267066
PNG
(CHEMBL4067052)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2F)cc1 |r|
Show InChI InChI=1S/C18H18FNO3/c19-16-5-1-2-6-17(16)23-15-9-7-13(8-10-15)20-11-3-4-14(20)12-18(21)22/h1-2,5-10,14H,3-4,11-12H2,(H,21,22)/t14-/m0/s1
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 1.30E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267059
PNG
(CHEMBL4091552)
Show SMILES Cc1ccccc1COc1ccc(cn1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C19H22N2O3/c1-14-5-2-3-6-15(14)13-24-18-9-8-17(12-20-18)21-10-4-7-16(21)11-19(22)23/h2-3,5-6,8-9,12,16H,4,7,10-11,13H2,1H3,(H,22,23)/t16-/m0/s1
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 1.80E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267047
PNG
(CHEMBL4078852)
Show SMILES Cc1ccccc1Oc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C19H21NO3/c1-14-5-2-3-7-18(14)23-17-10-8-15(9-11-17)20-12-4-6-16(20)13-19(21)22/h2-3,5,7-11,16H,4,6,12-13H2,1H3,(H,21,22)/t16-/m0/s1
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 4.40E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267064
PNG
(CHEMBL4070703)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H19NO3/c20-18(21)13-15-5-4-12-19(15)14-8-10-17(11-9-14)22-16-6-2-1-3-7-16/h1-3,6-11,15H,4-5,12-13H2,(H,20,21)/t15-/m0/s1
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 6.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267045
PNG
(CHEMBL4063889)
Show SMILES CO[C@H]1C[C@@H](CC(O)=O)N(C1)c1ccc(Oc2ccccc2C)cc1 |r|
Show InChI InChI=1S/C20H23NO4/c1-14-5-3-4-6-19(14)25-17-9-7-15(8-10-17)21-13-18(24-2)11-16(21)12-20(22)23/h3-10,16,18H,11-13H2,1-2H3,(H,22,23)/t16-,18-/m0/s1
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 9.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267048
PNG
(CHEMBL4075190)
Show SMILES Cc1ccccc1Cc1ccc(cc1)N1CCC[C@@]1(C)CC(O)=O |r|
Show InChI InChI=1S/C21H25NO2/c1-16-6-3-4-7-18(16)14-17-8-10-19(11-9-17)22-13-5-12-21(22,2)15-20(23)24/h3-4,6-11H,5,12-15H2,1-2H3,(H,23,24)/t21-/m0/s1
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 2.30E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267021
PNG
(CHEMBL4091669)
Show SMILES Cc1ccccc1Cc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H27NO2/c1-19-7-5-6-10-22(19)15-20-11-13-24(14-12-20)27-18-23(16-25(27)17-26(28)29)21-8-3-2-4-9-21/h2-14,23,25H,15-18H2,1H3,(H,28,29)/t23-,25-/m0/s1
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>2.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267113
PNG
(CHEMBL4105565)
Show SMILES Cc1ccccc1C(=O)c1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C20H21NO3/c1-14-5-2-3-7-18(14)20(24)15-8-10-16(11-9-15)21-12-4-6-17(21)13-19(22)23/h2-3,5,7-11,17H,4,6,12-13H2,1H3,(H,22,23)/t17-/m0/s1
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>3.30E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50244066
PNG
(CHEMBL4083365)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@@H](C[C@@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C28H27F4NO3/c1-17-11-20(25-15-24(36-2)9-10-26(25)29)6-5-19(17)12-18-3-7-22(8-4-18)33-16-21(28(30,31)32)13-23(33)14-27(34)35/h3-11,15,21,23H,12-14,16H2,1-2H3,(H,34,35)/t21-,23-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))		BDBM50244066
PNG
(CHEMBL4083365)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@@H](C[C@@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C28H27F4NO3/c1-17-11-20(25-15-24(36-2)9-10-26(25)29)6-5-19(17)12-18-3-7-22(8-4-18)33-16-21(28(30,31)32)13-23(33)14-27(34)35/h3-11,15,21,23H,12-14,16H2,1-2H3,(H,34,35)/t21-,23-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))		BDBM50244066
PNG
(CHEMBL4083365)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@@H](C[C@@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C28H27F4NO3/c1-17-11-20(25-15-24(36-2)9-10-26(25)29)6-5-19(17)12-18-3-7-22(8-4-18)33-16-21(28(30,31)32)13-23(33)14-27(34)35/h3-11,15,21,23H,12-14,16H2,1-2H3,(H,34,35)/t21-,23-/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50244066
PNG
(CHEMBL4083365)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@@H](C[C@@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C28H27F4NO3/c1-17-11-20(25-15-24(36-2)9-10-26(25)29)6-5-19(17)12-18-3-7-22(8-4-18)33-16-21(28(30,31)32)13-23(33)14-27(34)35/h3-11,15,21,23H,12-14,16H2,1-2H3,(H,34,35)/t21-,23-/m1/s1
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n/an/an/an/a 4.40E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Transactivation of human Gal4 fused PPARgamma-LBD expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50244066
PNG
(CHEMBL4083365)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@@H](C[C@@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C28H27F4NO3/c1-17-11-20(25-15-24(36-2)9-10-26(25)29)6-5-19(17)12-18-3-7-22(8-4-18)33-16-21(28(30,31)32)13-23(33)14-27(34)35/h3-11,15,21,23H,12-14,16H2,1-2H3,(H,34,35)/t21-,23-/m1/s1
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n/an/an/an/a 54n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267052
PNG
(CHEMBL4082459)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@H](C[C@@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C28H27F4NO3/c1-17-11-20(25-15-24(36-2)9-10-26(25)29)6-5-19(17)12-18-3-7-22(8-4-18)33-16-21(28(30,31)32)13-23(33)14-27(34)35/h3-11,15,21,23H,12-14,16H2,1-2H3,(H,34,35)/t21-,23+/m0/s1
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n/an/an/an/a 53n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267020
PNG
(CHEMBL4103345)
Show SMILES COc1ccc(Oc2ccc(cc2)N2CCC[C@H]2CC(O)=O)cc1 |r|
Show InChI InChI=1S/C19H21NO4/c1-23-16-8-10-18(11-9-16)24-17-6-4-14(5-7-17)20-12-2-3-15(20)13-19(21)22/h4-11,15H,2-3,12-13H2,1H3,(H,21,22)/t15-/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267038
PNG
(CHEMBL4061093)
Show SMILES C[C@H]1C[C@@H](CC(O)=O)N(C1)c1ccc(Cc2ccccc2C)cc1 |r|
Show InChI InChI=1S/C21H25NO2/c1-15-11-20(13-21(23)24)22(14-15)19-9-7-17(8-10-19)12-18-6-4-3-5-16(18)2/h3-10,15,20H,11-14H2,1-2H3,(H,23,24)/t15-,20-/m0/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267009
PNG
(CHEMBL4089171)
Show SMILES Cc1ccccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F3NO3/c1-13-4-2-3-5-18(13)27-17-8-6-15(7-9-17)24-12-14(20(21,22)23)10-16(24)11-19(25)26/h2-9,14,16H,10-12H2,1H3,(H,25,26)/t14-,16-/m0/s1
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n/an/an/an/a 330n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267064
PNG
(CHEMBL4070703)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H19NO3/c20-18(21)13-15-5-4-12-19(15)14-8-10-17(11-9-14)22-16-6-2-1-3-7-16/h1-3,6-11,15H,4-5,12-13H2,(H,20,21)/t15-/m0/s1
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n/an/an/an/a>1.60E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267084
PNG
(CHEMBL4080336)
Show SMILES OC(=O)C[C@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C19H19Cl2NO3/c20-14-4-3-13(18(21)10-14)12-25-17-7-5-15(6-8-17)22-9-1-2-16(22)11-19(23)24/h3-8,10,16H,1-2,9,11-12H2,(H,23,24)/t16-/m1/s1
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n/an/an/an/a 880n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267112
PNG
(CHEMBL4081316)
Show SMILES Cc1ccccc1S(=O)(=O)c1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C19H21NO4S/c1-14-5-2-3-7-18(14)25(23,24)17-10-8-15(9-11-17)20-12-4-6-16(20)13-19(21)22/h2-3,5,7-11,16H,4,6,12-13H2,1H3,(H,21,22)/t16-/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267022
PNG
(CHEMBL4072491)
Show SMILES C[C@H]1CC[C@@H](CC(O)=O)N1c1ccc(Cc2ccccc2C)cc1 |r|
Show InChI InChI=1S/C21H25NO2/c1-15-5-3-4-6-18(15)13-17-8-11-19(12-9-17)22-16(2)7-10-20(22)14-21(23)24/h3-6,8-9,11-12,16,20H,7,10,13-14H2,1-2H3,(H,23,24)/t16-,20-/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267066
PNG
(CHEMBL4067052)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2F)cc1 |r|
Show InChI InChI=1S/C18H18FNO3/c19-16-5-1-2-6-17(16)23-15-9-7-13(8-10-15)20-11-3-4-14(20)12-18(21)22/h1-2,5-10,14H,3-4,11-12H2,(H,21,22)/t14-/m0/s1
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n/an/an/an/a 150n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267112
PNG
(CHEMBL4081316)
Show SMILES Cc1ccccc1S(=O)(=O)c1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C19H21NO4S/c1-14-5-2-3-7-18(14)25(23,24)17-10-8-15(9-11-17)20-12-4-6-16(20)13-19(21)22/h2-3,5,7-11,16H,4,6,12-13H2,1H3,(H,21,22)/t16-/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267012
PNG
(CHEMBL4100898)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C24H23NO3/c26-24(27)17-20-9-6-16-25(20)19-12-14-21(15-13-19)28-23-11-5-4-10-22(23)18-7-2-1-3-8-18/h1-5,7-8,10-15,20H,6,9,16-17H2,(H,26,27)/t20-/m0/s1
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n/an/an/an/a 3.50E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267019
PNG
(CHEMBL4085420)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C18H18ClNO3/c19-13-3-7-16(8-4-13)23-17-9-5-14(6-10-17)20-11-1-2-15(20)12-18(21)22/h3-10,15H,1-2,11-12H2,(H,21,22)/t15-/m0/s1
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n/an/an/an/a 290n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267117
PNG
(CHEMBL4060499)
Show SMILES COc1ccc(F)c(Cc2cccc(Oc3ccc(cc3)N3C[C@H](C[C@H]3CC(O)=O)C(F)(F)F)c2C)c1 |r|
Show InChI InChI=1S/C28H27F4NO4/c1-17-18(12-19-13-24(36-2)10-11-25(19)29)4-3-5-26(17)37-23-8-6-21(7-9-23)33-16-20(28(30,31)32)14-22(33)15-27(34)35/h3-11,13,20,22H,12,14-16H2,1-2H3,(H,34,35)/t20-,22-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267030
PNG
(CHEMBL4090240)
Show SMILES Cc1cccc(Oc2ccc(cc2)N2C[C@H](C[C@H]2CC(O)=O)C(F)(F)F)c1C |r|
Show InChI InChI=1S/C21H22F3NO3/c1-13-4-3-5-19(14(13)2)28-18-8-6-16(7-9-18)25-12-15(21(22,23)24)10-17(25)11-20(26)27/h3-9,15,17H,10-12H2,1-2H3,(H,26,27)/t15-,17-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267051
PNG
(CHEMBL4101348)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@@H](C[C@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C28H27F4NO3/c1-17-11-20(25-15-24(36-2)9-10-26(25)29)6-5-19(17)12-18-3-7-22(8-4-18)33-16-21(28(30,31)32)13-23(33)14-27(34)35/h3-11,15,21,23H,12-14,16H2,1-2H3,(H,34,35)/t21-,23+/m1/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267054
PNG
(CHEMBL4062765)
Show SMILES Cc1cccc(Oc2ccc(cc2)N2CCC[C@H]2CC(O)=O)c1 |r|
Show InChI InChI=1S/C19H21NO3/c1-14-4-2-6-18(12-14)23-17-9-7-15(8-10-17)20-11-3-5-16(20)13-19(21)22/h2,4,6-10,12,16H,3,5,11,13H2,1H3,(H,21,22)/t16-/m0/s1
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n/an/an/an/a 260n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267048
PNG
(CHEMBL4075190)
Show SMILES Cc1ccccc1Cc1ccc(cc1)N1CCC[C@@]1(C)CC(O)=O |r|
Show InChI InChI=1S/C21H25NO2/c1-16-6-3-4-7-18(16)14-17-8-10-19(11-9-17)22-13-5-12-21(22,2)15-20(23)24/h3-4,6-11H,5,12-15H2,1-2H3,(H,23,24)/t21-/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267027
PNG
(CHEMBL4094160)
Show SMILES OC(=O)C[C@@H]1C[C@@H](CN1c1ccc(Oc2ccccc2OC(F)(F)F)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H17F6NO4/c21-19(22,23)12-9-14(10-18(28)29)27(11-12)13-5-7-15(8-6-13)30-16-3-1-2-4-17(16)31-20(24,25)26/h1-8,12,14H,9-11H2,(H,28,29)/t12-,14-/m0/s1
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n/an/an/an/a 740n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267049
PNG
(CHEMBL4095599)
Show SMILES C[C@H]1CCN([C@@H]1CC(O)=O)c1ccc(Cc2ccccc2C)cc1 |r|
Show InChI InChI=1S/C21H25NO2/c1-15-5-3-4-6-18(15)13-17-7-9-19(10-8-17)22-12-11-16(2)20(22)14-21(23)24/h3-10,16,20H,11-14H2,1-2H3,(H,23,24)/t16-,20+/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267056
PNG
(CHEMBL4068606)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cn1 |r|
Show InChI InChI=1S/C18H18Cl2N2O3/c19-13-4-3-12(16(20)8-13)11-25-15-5-6-17(21-10-15)22-7-1-2-14(22)9-18(23)24/h3-6,8,10,14H,1-2,7,9,11H2,(H,23,24)/t14-/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267052
PNG
(CHEMBL4082459)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@H](C[C@@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C28H27F4NO3/c1-17-11-20(25-15-24(36-2)9-10-26(25)29)6-5-19(17)12-18-3-7-22(8-4-18)33-16-21(28(30,31)32)13-23(33)14-27(34)35/h3-11,15,21,23H,12-14,16H2,1-2H3,(H,34,35)/t21-,23+/m0/s1
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n/an/an/an/a 150n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267026
PNG
(CHEMBL4099410)
Show SMILES OC(=O)C[C@@H]1C[C@@H](CN1c1ccc(Oc2ccccc2C(F)(F)F)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H17F6NO3/c21-19(22,23)12-9-14(10-18(28)29)27(11-12)13-5-7-15(8-6-13)30-17-4-2-1-3-16(17)20(24,25)26/h1-8,12,14H,9-11H2,(H,28,29)/t12-,14-/m0/s1
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n/an/an/an/a 310n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267029
PNG
(CHEMBL4069191)
Show SMILES COc1ccc(Oc2ccc(cc2)N2C[C@H](C[C@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C21H22F3NO4/c1-13-9-18(28-2)7-8-19(13)29-17-5-3-15(4-6-17)25-12-14(21(22,23)24)10-16(25)11-20(26)27/h3-9,14,16H,10-12H2,1-2H3,(H,26,27)/t14-,16-/m0/s1
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n/an/an/an/a 55n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267010
PNG
(CHEMBL4082395)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@H](C[C@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C28H27F4NO3/c1-17-11-20(25-15-24(36-2)9-10-26(25)29)6-5-19(17)12-18-3-7-22(8-4-18)33-16-21(28(30,31)32)13-23(33)14-27(34)35/h3-11,15,21,23H,12-14,16H2,1-2H3,(H,34,35)/t21-,23-/m0/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267018
PNG
(CHEMBL4065518)
Show SMILES Cc1ccc(Oc2ccc(cc2)N2CCC[C@H]2CC(O)=O)cc1 |r|
Show InChI InChI=1S/C19H21NO3/c1-14-4-8-17(9-5-14)23-18-10-6-15(7-11-18)20-12-2-3-16(20)13-19(21)22/h4-11,16H,2-3,12-13H2,1H3,(H,21,22)/t16-/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267057
PNG
(CHEMBL4103681)
Show SMILES Cc1cc(OCc2ccc(Cl)cc2Cl)ccc1N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C20H21Cl2NO3/c1-13-9-17(26-12-14-4-5-15(21)10-18(14)22)6-7-19(13)23-8-2-3-16(23)11-20(24)25/h4-7,9-10,16H,2-3,8,11-12H2,1H3,(H,24,25)/t16-/m0/s1
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n/an/an/an/a 8.90E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267062
PNG
(CHEMBL4096620)
Show SMILES OC(=O)CC1CCN(C1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO3/c20-15-2-1-14(18(21)10-15)12-25-17-5-3-16(4-6-17)22-8-7-13(11-22)9-19(23)24/h1-6,10,13H,7-9,11-12H2,(H,23,24)
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267063
PNG
(CHEMBL4070619)
Show SMILES OC(=O)C[C@@H]1CCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C18H17Cl2NO3/c19-13-2-1-12(17(20)9-13)11-24-16-5-3-14(4-6-16)21-8-7-15(21)10-18(22)23/h1-6,9,15H,7-8,10-11H2,(H,22,23)/t15-/m0/s1
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n/an/an/an/a 260n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267047
PNG
(CHEMBL4078852)
Show SMILES Cc1ccccc1Oc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C19H21NO3/c1-14-5-2-3-7-18(14)23-17-10-8-15(9-11-17)20-12-4-6-16(20)13-19(21)22/h2-3,5,7-11,16H,4,6,12-13H2,1H3,(H,21,22)/t16-/m0/s1
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n/an/an/an/a 5.60E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267111
PNG
(CHEMBL4063536)
Show SMILES Cc1ccccc1[S+]([O-])c1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C19H21NO3S/c1-14-5-2-3-7-18(14)24(23)17-10-8-15(9-11-17)20-12-4-6-16(20)13-19(21)22/h2-3,5,7-11,16H,4,6,12-13H2,1H3,(H,21,22)/t16-,24?/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267039
PNG
(CHEMBL4090766)
Show SMILES Cc1ccccc1Cc1ccc(cc1)N1C[C@@H](F)C[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C20H22FNO2/c1-14-4-2-3-5-16(14)10-15-6-8-18(9-7-15)22-13-17(21)11-19(22)12-20(23)24/h2-9,17,19H,10-13H2,1H3,(H,23,24)/t17-,19-/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267055
PNG
(CHEMBL4059947)
Show SMILES OC(=O)CC1CCCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C21H23Cl2NO3/c22-16-6-5-15(20(23)12-16)14-27-19-9-7-17(8-10-19)24-11-3-1-2-4-18(24)13-21(25)26/h5-10,12,18H,1-4,11,13-14H2,(H,25,26)
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n/an/an/an/a>1.60E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267058
PNG
(CHEMBL4079421)
Show SMILES Cc1ccccc1COc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C20H23NO3/c1-15-5-2-3-6-16(15)14-24-19-10-8-17(9-11-19)21-12-4-7-18(21)13-20(22)23/h2-3,5-6,8-11,18H,4,7,12-14H2,1H3,(H,22,23)/t18-/m0/s1
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n/an/an/an/a 3.40E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267047
PNG
(CHEMBL4078852)
Show SMILES Cc1ccccc1Oc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C19H21NO3/c1-14-5-2-3-7-18(14)23-17-10-8-15(9-11-17)20-12-4-6-16(20)13-19(21)22/h2-3,5,7-11,16H,4,6,12-13H2,1H3,(H,21,22)/t16-/m0/s1
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n/an/an/an/a 74n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267013
PNG
(CHEMBL4074138)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(Oc2cccc(Cl)c2)cc1 |r|
Show InChI InChI=1S/C18H18ClNO3/c19-13-3-1-5-17(11-13)23-16-8-6-14(7-9-16)20-10-2-4-15(20)12-18(21)22/h1,3,5-9,11,15H,2,4,10,12H2,(H,21,22)/t15-/m0/s1
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n/an/an/an/a>1.60E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267009
PNG
(CHEMBL4089171)
Show SMILES Cc1ccccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F3NO3/c1-13-4-2-3-5-18(13)27-17-8-6-15(7-9-17)24-12-14(20(21,22)23)10-16(24)11-19(25)26/h2-9,14,16H,10-12H2,1H3,(H,25,26)/t14-,16-/m0/s1
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n/an/an/an/a 73n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267113
PNG
(CHEMBL4105565)
Show SMILES Cc1ccccc1C(=O)c1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C20H21NO3/c1-14-5-2-3-7-18(14)20(24)15-8-10-16(11-9-15)21-12-4-6-17(21)13-19(22)23/h2-3,5,7-11,17H,4,6,12-13H2,1H3,(H,22,23)/t17-/m0/s1
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n/an/an/an/a 4.60E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267009
PNG
(CHEMBL4089171)
Show SMILES Cc1ccccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F3NO3/c1-13-4-2-3-5-18(13)27-17-8-6-15(7-9-17)24-12-14(20(21,22)23)10-16(24)11-19(25)26/h2-9,14,16H,10-12H2,1H3,(H,25,26)/t14-,16-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 transfected in HEK293 cells assessed as induction of cAMP accumulation incubated for 30 to 45 mins by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267017
PNG
(CHEMBL4093180)
Show SMILES CN(C)c1cccc(Oc2ccc(cc2)N2CCC[C@H]2CC(O)=O)c1 |r|
Show InChI InChI=1S/C20H24N2O3/c1-21(2)16-5-3-7-19(13-16)25-18-10-8-15(9-11-18)22-12-4-6-17(22)14-20(23)24/h3,5,7-11,13,17H,4,6,12,14H2,1-2H3,(H,23,24)/t17-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267020
PNG
(CHEMBL4103345)
Show SMILES COc1ccc(Oc2ccc(cc2)N2CCC[C@H]2CC(O)=O)cc1 |r|
Show InChI InChI=1S/C19H21NO4/c1-23-16-8-10-18(11-9-16)24-17-6-4-14(5-7-17)20-12-2-3-15(20)13-19(21)22/h4-11,15H,2-3,12-13H2,1H3,(H,21,22)/t15-/m0/s1
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n/an/an/an/a 520n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267021
PNG
(CHEMBL4091669)
Show SMILES Cc1ccccc1Cc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H27NO2/c1-19-7-5-6-10-22(19)15-20-11-13-24(14-12-20)27-18-23(16-25(27)17-26(28)29)21-8-3-2-4-9-21/h2-14,23,25H,15-18H2,1H3,(H,28,29)/t23-,25-/m0/s1
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n/an/an/an/a>1.70E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267022
PNG
(CHEMBL4072491)
Show SMILES C[C@H]1CC[C@@H](CC(O)=O)N1c1ccc(Cc2ccccc2C)cc1 |r|
Show InChI InChI=1S/C21H25NO2/c1-15-5-3-4-6-18(15)13-17-8-11-19(12-9-17)22-16(2)7-10-20(22)14-21(23)24/h3-6,8-9,11-12,16,20H,7,10,13-14H2,1-2H3,(H,23,24)/t16-,20-/m0/s1
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n/an/an/an/a 6.20E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267027
PNG
(CHEMBL4094160)
Show SMILES OC(=O)C[C@@H]1C[C@@H](CN1c1ccc(Oc2ccccc2OC(F)(F)F)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H17F6NO4/c21-19(22,23)12-9-14(10-18(28)29)27(11-12)13-5-7-15(8-6-13)30-16-3-1-2-4-17(16)31-20(24,25)26/h1-8,12,14H,9-11H2,(H,28,29)/t12-,14-/m0/s1
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n/an/an/an/a 170n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267119
PNG
(CHEMBL1532576)
Show SMILES OC(=O)C1CN(C(=O)C1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl2NO4/c19-13-2-1-11(16(20)8-13)10-25-15-5-3-14(4-6-15)21-9-12(18(23)24)7-17(21)22/h1-6,8,12H,7,9-10H2,(H,23,24)
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267049
PNG
(CHEMBL4095599)
Show SMILES C[C@H]1CCN([C@@H]1CC(O)=O)c1ccc(Cc2ccccc2C)cc1 |r|
Show InChI InChI=1S/C21H25NO2/c1-15-5-3-4-6-18(15)13-17-7-9-19(10-8-17)22-12-11-16(2)20(22)14-21(23)24/h3-10,16,20H,11-14H2,1-2H3,(H,23,24)/t16-,20+/m0/s1
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n/an/an/an/a 1.90E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267037
PNG
(CHEMBL4082975)
Show SMILES Cc1ccccc1Cc1ccc(cc1)N1CC[C@@H]([C@H]1CC(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H27NO2/c1-19-7-5-6-10-22(19)17-20-11-13-23(14-12-20)27-16-15-24(25(27)18-26(28)29)21-8-3-2-4-9-21/h2-14,24-25H,15-18H2,1H3,(H,28,29)/t24-,25-/m1/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267083
PNG
(CHEMBL4088190)
Show SMILES OC(=O)CC1CCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C20H21Cl2NO3/c21-15-5-4-14(19(22)11-15)13-26-18-8-6-16(7-9-18)23-10-2-1-3-17(23)12-20(24)25/h4-9,11,17H,1-3,10,12-13H2,(H,24,25)
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267056
PNG
(CHEMBL4068606)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cn1 |r|
Show InChI InChI=1S/C18H18Cl2N2O3/c19-13-4-3-12(16(20)8-13)11-25-15-5-6-17(21-10-15)22-7-1-2-14(22)9-18(23)24/h3-6,8,10,14H,1-2,7,9,11H2,(H,23,24)/t14-/m0/s1
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n/an/an/an/a 220n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267058
PNG
(CHEMBL4079421)
Show SMILES Cc1ccccc1COc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C20H23NO3/c1-15-5-2-3-6-16(15)14-24-19-10-8-17(9-11-19)21-12-4-7-18(21)13-20(22)23/h2-3,5-6,8-11,18H,4,7,12-14H2,1H3,(H,22,23)/t18-/m0/s1
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n/an/an/an/a 190n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267059
PNG
(CHEMBL4091552)
Show SMILES Cc1ccccc1COc1ccc(cn1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C19H22N2O3/c1-14-5-2-3-6-15(14)13-24-18-9-8-17(12-20-18)21-10-4-7-16(21)11-19(22)23/h2-3,5-6,8-9,12,16H,4,7,10-11,13H2,1H3,(H,22,23)/t16-/m0/s1
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n/an/an/an/a 450n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267065
PNG
(CHEMBL4097826)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C18H17Cl2NO3/c19-12-3-8-17(16(20)10-12)24-15-6-4-13(5-7-15)21-9-1-2-14(21)11-18(22)23/h3-8,10,14H,1-2,9,11H2,(H,22,23)/t14-/m0/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267066
PNG
(CHEMBL4067052)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2F)cc1 |r|
Show InChI InChI=1S/C18H18FNO3/c19-16-5-1-2-6-17(16)23-15-9-7-13(8-10-15)20-11-3-4-14(20)12-18(21)22/h1-2,5-10,14H,3-4,11-12H2,(H,21,22)/t14-/m0/s1
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n/an/an/an/a 6.90E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267083
PNG
(CHEMBL4088190)
Show SMILES OC(=O)CC1CCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C20H21Cl2NO3/c21-15-5-4-14(19(22)11-15)13-26-18-8-6-16(7-9-18)23-10-2-1-3-17(23)12-20(24)25/h4-9,11,17H,1-3,10,12-13H2,(H,24,25)
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267085
PNG
(CHEMBL4085805)
Show SMILES OC(=O)C[C@H]1CCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C18H17Cl2NO3/c19-13-2-1-12(17(20)9-13)11-24-16-5-3-14(4-6-16)21-8-7-15(21)10-18(22)23/h1-6,9,15H,7-8,10-11H2,(H,22,23)/t15-/m1/s1
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n/an/an/an/a 1.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267113
PNG
(CHEMBL4105565)
Show SMILES Cc1ccccc1C(=O)c1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C20H21NO3/c1-14-5-2-3-7-18(14)20(24)15-8-10-16(11-9-15)21-12-4-6-17(21)13-19(22)23/h2-3,5,7-11,17H,4,6,12-13H2,1H3,(H,22,23)/t17-/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267045
PNG
(CHEMBL4063889)
Show SMILES CO[C@H]1C[C@@H](CC(O)=O)N(C1)c1ccc(Oc2ccccc2C)cc1 |r|
Show InChI InChI=1S/C20H23NO4/c1-14-5-3-4-6-19(14)25-17-9-7-15(8-10-17)21-13-18(24-2)11-16(21)12-20(22)23/h3-10,16,18H,11-13H2,1-2H3,(H,22,23)/t16-,18-/m0/s1
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n/an/an/an/a 960n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267083
PNG
(CHEMBL4088190)
Show SMILES OC(=O)CC1CCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C20H21Cl2NO3/c21-15-5-4-14(19(22)11-15)13-26-18-8-6-16(7-9-18)23-10-2-1-3-17(23)12-20(24)25/h4-9,11,17H,1-3,10,12-13H2,(H,24,25)
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267057
PNG
(CHEMBL4103681)
Show SMILES Cc1cc(OCc2ccc(Cl)cc2Cl)ccc1N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C20H21Cl2NO3/c1-13-9-17(26-12-14-4-5-15(21)10-18(14)22)6-7-19(13)23-8-2-3-16(23)11-20(24)25/h4-7,9-10,16H,2-3,8,11-12H2,1H3,(H,24,25)/t16-/m0/s1
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n/an/an/an/a 1.40E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267035
PNG
(CHEMBL4071899)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2CCC[C@H]2CC(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C27H28FNO3/c1-18-14-21(25-17-24(32-2)11-12-26(25)28)8-7-20(18)15-19-5-9-22(10-6-19)29-13-3-4-23(29)16-27(30)31/h5-12,14,17,23H,3-4,13,15-16H2,1-2H3,(H,30,31)/t23-/m0/s1
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n/an/an/an/a 1.90E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267059
PNG
(CHEMBL4091552)
Show SMILES Cc1ccccc1COc1ccc(cn1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C19H22N2O3/c1-14-5-2-3-6-15(14)13-24-18-9-8-17(12-20-18)21-10-4-7-16(21)11-19(22)23/h2-3,5-6,8-9,12,16H,4,7,10-11,13H2,1H3,(H,22,23)/t16-/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267011
PNG
(CHEMBL4084441)
Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C22H27NO3/c1-22(2,3)19-8-4-5-9-20(19)26-18-12-10-16(11-13-18)23-14-6-7-17(23)15-21(24)25/h4-5,8-13,17H,6-7,14-15H2,1-3H3,(H,24,25)/t17-/m0/s1
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n/an/an/an/a 6.50E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267013
PNG
(CHEMBL4074138)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(Oc2cccc(Cl)c2)cc1 |r|
Show InChI InChI=1S/C18H18ClNO3/c19-13-3-1-5-17(11-13)23-16-8-6-14(7-9-16)20-10-2-4-15(20)12-18(21)22/h1,3,5-9,11,15H,2,4,10,12H2,(H,21,22)/t15-/m0/s1
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n/an/an/an/a 680n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267039
PNG
(CHEMBL4090766)
Show SMILES Cc1ccccc1Cc1ccc(cc1)N1C[C@@H](F)C[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C20H22FNO2/c1-14-4-2-3-5-16(14)10-15-6-8-18(9-7-15)22-13-17(21)11-19(22)12-20(23)24/h2-9,17,19H,10-13H2,1H3,(H,23,24)/t17-,19-/m0/s1
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n/an/an/an/a 74n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267061
PNG
(CHEMBL4060859)
Show SMILES OC(=O)C1CCN(C1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H17Cl2NO3/c19-14-2-1-13(17(20)9-14)11-24-16-5-3-15(4-6-16)21-8-7-12(10-21)18(22)23/h1-6,9,12H,7-8,10-11H2,(H,22,23)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267054
PNG
(CHEMBL4062765)
Show SMILES Cc1cccc(Oc2ccc(cc2)N2CCC[C@H]2CC(O)=O)c1 |r|
Show InChI InChI=1S/C19H21NO3/c1-14-4-2-6-18(12-14)23-17-9-7-15(8-10-17)20-11-3-5-16(20)13-19(21)22/h2,4,6-10,12,16H,3,5,11,13H2,1H3,(H,21,22)/t16-/m0/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267062
PNG
(CHEMBL4096620)
Show SMILES OC(=O)CC1CCN(C1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO3/c20-15-2-1-14(18(21)10-15)12-25-17-5-3-16(4-6-17)22-8-7-13(11-22)9-19(23)24/h1-6,10,13H,7-9,11-12H2,(H,23,24)
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267044
PNG
(CHEMBL4069764)
Show SMILES Cc1ccccc1Cc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3NO2/c1-14-4-2-3-5-16(14)10-15-6-8-18(9-7-15)25-13-17(21(22,23)24)11-19(25)12-20(26)27/h2-9,17,19H,10-13H2,1H3,(H,26,27)/t17-,19-/m0/s1
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n/an/an/an/a 710n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267021
PNG
(CHEMBL4091669)
Show SMILES Cc1ccccc1Cc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H27NO2/c1-19-7-5-6-10-22(19)15-20-11-13-24(14-12-20)27-18-23(16-25(27)17-26(28)29)21-8-3-2-4-9-21/h2-14,23,25H,15-18H2,1H3,(H,28,29)/t23-,25-/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267028
PNG
(CHEMBL4073525)
Show SMILES Cc1cc(OCc2ccccc2)ccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C27H26F3NO4/c1-18-13-24(34-17-19-5-3-2-4-6-19)11-12-25(18)35-23-9-7-21(8-10-23)31-16-20(27(28,29)30)14-22(31)15-26(32)33/h2-13,20,22H,14-17H2,1H3,(H,32,33)/t20-,22-/m0/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267083
PNG
(CHEMBL4088190)
Show SMILES OC(=O)CC1CCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C20H21Cl2NO3/c21-15-5-4-14(19(22)11-15)13-26-18-8-6-16(7-9-18)23-10-2-1-3-17(23)12-20(24)25/h4-9,11,17H,1-3,10,12-13H2,(H,24,25)
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267060
PNG
(CHEMBL4063747)
Show SMILES Cc1ccccc1COc1ccc(cc1C)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C21H25NO3/c1-15-6-3-4-7-17(15)14-25-20-10-9-19(12-16(20)2)22-11-5-8-18(22)13-21(23)24/h3-4,6-7,9-10,12,18H,5,8,11,13-14H2,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267051
PNG
(CHEMBL4101348)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@@H](C[C@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C28H27F4NO3/c1-17-11-20(25-15-24(36-2)9-10-26(25)29)6-5-19(17)12-18-3-7-22(8-4-18)33-16-21(28(30,31)32)13-23(33)14-27(34)35/h3-11,15,21,23H,12-14,16H2,1-2H3,(H,34,35)/t21-,23+/m1/s1
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n/an/an/an/a 1.70E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267012
PNG
(CHEMBL4100898)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C24H23NO3/c26-24(27)17-20-9-6-16-25(20)19-12-14-21(15-13-19)28-23-11-5-4-10-22(23)18-7-2-1-3-8-18/h1-5,7-8,10-15,20H,6,9,16-17H2,(H,26,27)/t20-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267065
PNG
(CHEMBL4097826)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C18H17Cl2NO3/c19-12-3-8-17(16(20)10-12)24-15-6-4-13(5-7-15)21-9-1-2-14(21)11-18(22)23/h3-8,10,14H,1-2,9,11H2,(H,22,23)/t14-/m0/s1
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n/an/an/an/a 360n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267010
PNG
(CHEMBL4082395)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@H](C[C@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C28H27F4NO3/c1-17-11-20(25-15-24(36-2)9-10-26(25)29)6-5-19(17)12-18-3-7-22(8-4-18)33-16-21(28(30,31)32)13-23(33)14-27(34)35/h3-11,15,21,23H,12-14,16H2,1-2H3,(H,34,35)/t21-,23-/m0/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 transfected in HEK293 cells assessed as induction of cAMP accumulation incubated for 30 to 45 mins by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267119
PNG
(CHEMBL1532576)
Show SMILES OC(=O)C1CN(C(=O)C1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl2NO4/c19-13-2-1-11(16(20)8-13)10-25-15-5-3-14(4-6-15)21-9-12(18(23)24)7-17(21)22/h1-6,8,12H,7,9-10H2,(H,23,24)
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n/an/an/an/a 5.00E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267045
PNG
(CHEMBL4063889)
Show SMILES CO[C@H]1C[C@@H](CC(O)=O)N(C1)c1ccc(Oc2ccccc2C)cc1 |r|
Show InChI InChI=1S/C20H23NO4/c1-14-5-3-4-6-19(14)25-17-9-7-15(8-10-17)21-13-18(24-2)11-16(21)12-20(22)23/h3-10,16,18H,11-13H2,1-2H3,(H,22,23)/t16-,18-/m0/s1
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n/an/an/an/a 2.30E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267050
PNG
(CHEMBL4097951)
Show SMILES Cc1cccc(C)c1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3NO3/c1-13-4-3-5-14(2)20(13)28-18-8-6-16(7-9-18)25-12-15(21(22,23)24)10-17(25)11-19(26)27/h3-9,15,17H,10-12H2,1-2H3,(H,26,27)/t15-,17-/m0/s1
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n/an/an/an/a 82n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267019
PNG
(CHEMBL4085420)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C18H18ClNO3/c19-13-3-7-16(8-4-13)23-17-9-5-14(6-10-17)20-11-1-2-15(20)12-18(21)22/h3-10,15H,1-2,11-12H2,(H,21,22)/t15-/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267117
PNG
(CHEMBL4060499)
Show SMILES COc1ccc(F)c(Cc2cccc(Oc3ccc(cc3)N3C[C@H](C[C@H]3CC(O)=O)C(F)(F)F)c2C)c1 |r|
Show InChI InChI=1S/C28H27F4NO4/c1-17-18(12-19-13-24(36-2)10-11-25(19)29)4-3-5-26(17)37-23-8-6-21(7-9-23)33-16-20(28(30,31)32)14-22(33)15-27(34)35/h3-11,13,20,22H,12,14-16H2,1-2H3,(H,34,35)/t20-,22-/m0/s1
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n/an/an/an/a 780n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267110
PNG
(CHEMBL4070270)
Show SMILES Cc1ccccc1Sc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C19H21NO2S/c1-14-5-2-3-7-18(14)23-17-10-8-15(9-11-17)20-12-4-6-16(20)13-19(21)22/h2-3,5,7-11,16H,4,6,12-13H2,1H3,(H,21,22)/t16-/m0/s1
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n/an/an/an/a 570n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267061
PNG
(CHEMBL4060859)
Show SMILES OC(=O)C1CCN(C1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H17Cl2NO3/c19-14-2-1-13(17(20)9-14)11-24-16-5-3-15(4-6-16)21-8-7-12(10-21)18(22)23/h1-6,9,12H,7-8,10-11H2,(H,22,23)
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n/an/an/an/a>1.60E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267110
PNG
(CHEMBL4070270)
Show SMILES Cc1ccccc1Sc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C19H21NO2S/c1-14-5-2-3-7-18(14)23-17-10-8-15(9-11-17)20-12-4-6-16(20)13-19(21)22/h2-3,5,7-11,16H,4,6,12-13H2,1H3,(H,21,22)/t16-/m0/s1
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n/an/an/an/a>1.70E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267029
PNG
(CHEMBL4069191)
Show SMILES COc1ccc(Oc2ccc(cc2)N2C[C@H](C[C@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C21H22F3NO4/c1-13-9-18(28-2)7-8-19(13)29-17-5-3-15(4-6-17)25-12-14(21(22,23)24)10-16(25)11-20(26)27/h3-9,14,16H,10-12H2,1-2H3,(H,26,27)/t14-,16-/m0/s1
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n/an/an/an/a 170n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267085
PNG
(CHEMBL4085805)
Show SMILES OC(=O)C[C@H]1CCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C18H17Cl2NO3/c19-13-2-1-12(17(20)9-13)11-24-16-5-3-14(4-6-16)21-8-7-15(21)10-18(22)23/h1-6,9,15H,7-8,10-11H2,(H,22,23)/t15-/m1/s1
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n/an/an/an/a>1.70E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267084
PNG
(CHEMBL4080336)
Show SMILES OC(=O)C[C@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C19H19Cl2NO3/c20-14-4-3-13(18(21)10-14)12-25-17-7-5-15(6-8-17)22-9-1-2-16(22)11-19(23)24/h3-8,10,16H,1-2,9,11-12H2,(H,23,24)/t16-/m1/s1
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n/an/an/an/a>1.70E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267082
PNG
(CHEMBL4075885)
Show SMILES CCOc1ccccc1Oc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C20H23NO4/c1-2-24-18-7-3-4-8-19(18)25-17-11-9-15(10-12-17)21-13-5-6-16(21)14-20(22)23/h3-4,7-12,16H,2,5-6,13-14H2,1H3,(H,22,23)/t16-/m0/s1
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n/an/an/an/a 1.70E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267010
PNG
(CHEMBL4082395)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@H](C[C@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C28H27F4NO3/c1-17-11-20(25-15-24(36-2)9-10-26(25)29)6-5-19(17)12-18-3-7-22(8-4-18)33-16-21(28(30,31)32)13-23(33)14-27(34)35/h3-11,15,21,23H,12-14,16H2,1-2H3,(H,34,35)/t21-,23-/m0/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 transfected in HEK293 cells assessed as induction of cAMP accumulation incubated for 30 to 45 mins by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267055
PNG
(CHEMBL4059947)
Show SMILES OC(=O)CC1CCCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C21H23Cl2NO3/c22-16-6-5-15(20(23)12-16)14-27-19-9-7-17(8-10-19)24-11-3-1-2-4-18(24)13-21(25)26/h5-10,12,18H,1-4,11,13-14H2,(H,25,26)
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n/an/an/an/a 6.40E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244066
PNG
(CHEMBL4083365)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@@H](C[C@@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C28H27F4NO3/c1-17-11-20(25-15-24(36-2)9-10-26(25)29)6-5-19(17)12-18-3-7-22(8-4-18)33-16-21(28(30,31)32)13-23(33)14-27(34)35/h3-11,15,21,23H,12-14,16H2,1-2H3,(H,34,35)/t21-,23-/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267118
PNG
(CHEMBL4096887)
Show SMILES Cc1ccccc1Cc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C20H23NO2/c1-15-5-2-3-6-17(15)13-16-8-10-18(11-9-16)21-12-4-7-19(21)14-20(22)23/h2-3,5-6,8-11,19H,4,7,12-14H2,1H3,(H,22,23)/t19-/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50244066
PNG
(CHEMBL4083365)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@@H](C[C@@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C28H27F4NO3/c1-17-11-20(25-15-24(36-2)9-10-26(25)29)6-5-19(17)12-18-3-7-22(8-4-18)33-16-21(28(30,31)32)13-23(33)14-27(34)35/h3-11,15,21,23H,12-14,16H2,1-2H3,(H,34,35)/t21-,23-/m1/s1
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n/an/an/an/a 330n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267011
PNG
(CHEMBL4084441)
Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C22H27NO3/c1-22(2,3)19-8-4-5-9-20(19)26-18-12-10-16(11-13-18)23-14-6-7-17(23)15-21(24)25/h4-5,8-13,17H,6-7,14-15H2,1-3H3,(H,24,25)/t17-/m0/s1
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n/an/an/an/a>1.70E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267031
PNG
(CHEMBL4079930)
Show SMILES Cc1c(Cl)cccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C20H19ClF3NO3/c1-12-17(21)3-2-4-18(12)28-16-7-5-14(6-8-16)25-11-13(20(22,23)24)9-15(25)10-19(26)27/h2-8,13,15H,9-11H2,1H3,(H,26,27)/t13-,15-/m0/s1
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n/an/an/an/a 82n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267018
PNG
(CHEMBL4065518)
Show SMILES Cc1ccc(Oc2ccc(cc2)N2CCC[C@H]2CC(O)=O)cc1 |r|
Show InChI InChI=1S/C19H21NO3/c1-14-4-8-17(9-5-14)23-18-10-6-15(7-11-18)20-12-2-3-16(20)13-19(21)22/h4-11,16H,2-3,12-13H2,1H3,(H,21,22)/t16-/m0/s1
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n/an/an/an/a 490n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267035
PNG
(CHEMBL4071899)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2CCC[C@H]2CC(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C27H28FNO3/c1-18-14-21(25-17-24(32-2)11-12-26(25)28)8-7-20(18)15-19-5-9-22(10-6-19)29-13-3-4-23(29)16-27(30)31/h5-12,14,17,23H,3-4,13,15-16H2,1-2H3,(H,30,31)/t23-/m0/s1
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n/an/an/an/a 220n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267044
PNG
(CHEMBL4069764)
Show SMILES Cc1ccccc1Cc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3NO2/c1-14-4-2-3-5-16(14)10-15-6-8-18(9-7-15)25-13-17(21(22,23)24)11-19(25)12-20(26)27/h2-9,17,19H,10-13H2,1H3,(H,26,27)/t17-,19-/m0/s1
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n/an/an/an/a 67n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50267047
PNG
(CHEMBL4078852)
Show SMILES Cc1ccccc1Oc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C19H21NO3/c1-14-5-2-3-7-18(14)23-17-10-8-15(9-11-17)20-12-4-6-16(20)13-19(21)22/h2-3,5,7-11,16H,4,6,12-13H2,1H3,(H,21,22)/t16-/m0/s1
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n/an/an/an/a 3.20E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Transactivation of human Gal4 fused PPARgamma-LBD expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267048
PNG
(CHEMBL4075190)
Show SMILES Cc1ccccc1Cc1ccc(cc1)N1CCC[C@@]1(C)CC(O)=O |r|
Show InChI InChI=1S/C21H25NO2/c1-16-6-3-4-7-18(16)14-17-8-10-19(11-9-17)22-13-5-12-21(22,2)15-20(23)24/h3-4,6-11H,5,12-15H2,1-2H3,(H,23,24)/t21-/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267055
PNG
(CHEMBL4059947)
Show SMILES OC(=O)CC1CCCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C21H23Cl2NO3/c22-16-6-5-15(20(23)12-16)14-27-19-9-7-17(8-10-19)24-11-3-1-2-4-18(24)13-21(25)26/h5-10,12,18H,1-4,11,13-14H2,(H,25,26)
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n/an/an/an/a 6.40E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267060
PNG
(CHEMBL4063747)
Show SMILES Cc1ccccc1COc1ccc(cc1C)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C21H25NO3/c1-15-6-3-4-7-17(15)14-25-20-10-9-19(12-16(20)2)22-11-5-8-18(22)13-21(23)24/h3-4,6-7,9-10,12,18H,5,8,11,13-14H2,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267063
PNG
(CHEMBL4070619)
Show SMILES OC(=O)C[C@@H]1CCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C18H17Cl2NO3/c19-13-2-1-12(17(20)9-13)11-24-16-5-3-14(4-6-16)21-8-7-15(21)10-18(22)23/h1-6,9,15H,7-8,10-11H2,(H,22,23)/t15-/m0/s1
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n/an/an/an/a 440n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267026
PNG
(CHEMBL4099410)
Show SMILES OC(=O)C[C@@H]1C[C@@H](CN1c1ccc(Oc2ccccc2C(F)(F)F)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H17F6NO3/c21-19(22,23)12-9-14(10-18(28)29)27(11-12)13-5-7-15(8-6-13)30-17-4-2-1-3-16(17)20(24,25)26/h1-8,12,14H,9-11H2,(H,28,29)/t12-,14-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267031
PNG
(CHEMBL4079930)
Show SMILES Cc1c(Cl)cccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C20H19ClF3NO3/c1-12-17(21)3-2-4-18(12)28-16-7-5-14(6-8-16)25-11-13(20(22,23)24)9-15(25)10-19(26)27/h2-8,13,15H,9-11H2,1H3,(H,26,27)/t13-,15-/m0/s1
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n/an/an/an/a 430n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267111
PNG
(CHEMBL4063536)
Show SMILES Cc1ccccc1[S+]([O-])c1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C19H21NO3S/c1-14-5-2-3-7-18(14)24(23)17-10-8-15(9-11-17)20-12-4-6-16(20)13-19(21)22/h2-3,5,7-11,16H,4,6,12-13H2,1H3,(H,21,22)/t16-,24?/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267017
PNG
(CHEMBL4093180)
Show SMILES CN(C)c1cccc(Oc2ccc(cc2)N2CCC[C@H]2CC(O)=O)c1 |r|
Show InChI InChI=1S/C20H24N2O3/c1-21(2)16-5-3-7-19(13-16)25-18-10-8-15(9-11-18)22-12-4-6-17(22)14-20(23)24/h3,5,7-11,13,17H,4,6,12,14H2,1-2H3,(H,23,24)/t17-/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267055
PNG
(CHEMBL4059947)
Show SMILES OC(=O)CC1CCCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C21H23Cl2NO3/c22-16-6-5-15(20(23)12-16)14-27-19-9-7-17(8-10-19)24-11-3-1-2-4-18(24)13-21(25)26/h5-10,12,18H,1-4,11,13-14H2,(H,25,26)
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n/an/an/an/a>1.60E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267082
PNG
(CHEMBL4075885)
Show SMILES CCOc1ccccc1Oc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C20H23NO4/c1-2-24-18-7-3-4-8-19(18)25-17-11-9-15(10-12-17)21-13-5-6-16(21)14-20(22)23/h3-4,7-12,16H,2,5-6,13-14H2,1H3,(H,22,23)/t16-/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267030
PNG
(CHEMBL4090240)
Show SMILES Cc1cccc(Oc2ccc(cc2)N2C[C@H](C[C@H]2CC(O)=O)C(F)(F)F)c1C |r|
Show InChI InChI=1S/C21H22F3NO3/c1-13-4-3-5-19(14(13)2)28-18-8-6-16(7-9-18)25-12-15(21(22,23)24)10-17(25)11-20(26)27/h3-9,15,17H,10-12H2,1-2H3,(H,26,27)/t15-,17-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267050
PNG
(CHEMBL4097951)
Show SMILES Cc1cccc(C)c1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3NO3/c1-13-4-3-5-14(2)20(13)28-18-8-6-16(7-9-18)25-12-15(21(22,23)24)10-17(25)11-19(26)27/h3-9,15,17H,10-12H2,1-2H3,(H,26,27)/t15-,17-/m0/s1
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n/an/an/an/a 270n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267034
PNG
(CHEMBL4098892)
Show SMILES COc1ccc(F)c(c1)-c1cccc(Oc2ccc(cc2)N2CCC[C@H]2CC(O)=O)c1C |r|
Show InChI InChI=1S/C26H26FNO4/c1-17-22(23-16-21(31-2)12-13-24(23)27)6-3-7-25(17)32-20-10-8-18(9-11-20)28-14-4-5-19(28)15-26(29)30/h3,6-13,16,19H,4-5,14-15H2,1-2H3,(H,29,30)/t19-/m0/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267046
PNG
(CHEMBL4103729)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C19H19Cl2NO3/c20-14-4-3-13(18(21)10-14)12-25-17-7-5-15(6-8-17)22-9-1-2-16(22)11-19(23)24/h3-8,10,16H,1-2,9,11-12H2,(H,23,24)/t16-/m0/s1
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n/an/an/an/a 4.50E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267064
PNG
(CHEMBL4070703)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H19NO3/c20-18(21)13-15-5-4-12-19(15)14-8-10-17(11-9-14)22-16-6-2-1-3-7-16/h1-3,6-11,15H,4-5,12-13H2,(H,20,21)/t15-/m0/s1
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n/an/an/an/a 560n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267038
PNG
(CHEMBL4061093)
Show SMILES C[C@H]1C[C@@H](CC(O)=O)N(C1)c1ccc(Cc2ccccc2C)cc1 |r|
Show InChI InChI=1S/C21H25NO2/c1-15-11-20(13-21(23)24)22(14-15)19-9-7-17(8-10-19)12-18-6-4-3-5-16(18)2/h3-10,15,20H,11-14H2,1-2H3,(H,23,24)/t15-,20-/m0/s1
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n/an/an/an/a 140n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267028
PNG
(CHEMBL4073525)
Show SMILES Cc1cc(OCc2ccccc2)ccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C27H26F3NO4/c1-18-13-24(34-17-19-5-3-2-4-6-19)11-12-25(18)35-23-9-7-21(8-10-23)31-16-20(27(28,29)30)14-22(31)15-26(32)33/h2-13,20,22H,14-17H2,1H3,(H,32,33)/t20-,22-/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267118
PNG
(CHEMBL4096887)
Show SMILES Cc1ccccc1Cc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Show InChI InChI=1S/C20H23NO2/c1-15-5-2-3-6-17(15)13-16-8-10-18(11-9-16)21-12-4-7-19(21)14-20(22)23/h2-3,5-6,8-11,19H,4,7,12-14H2,1H3,(H,22,23)/t19-/m0/s1
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n/an/an/an/a 150n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267046
PNG
(CHEMBL4103729)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C19H19Cl2NO3/c20-14-4-3-13(18(21)10-14)12-25-17-7-5-15(6-8-17)22-9-1-2-16(22)11-19(23)24/h3-8,10,16H,1-2,9,11-12H2,(H,23,24)/t16-/m0/s1
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n/an/an/an/a 340n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)		BDBM50267010
PNG
(CHEMBL4082395)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@H](C[C@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C28H27F4NO3/c1-17-11-20(25-15-24(36-2)9-10-26(25)29)6-5-19(17)12-18-3-7-22(8-4-18)33-16-21(28(30,31)32)13-23(33)14-27(34)35/h3-11,15,21,23H,12-14,16H2,1-2H3,(H,34,35)/t21-,23-/m0/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244066
PNG
(CHEMBL4083365)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@@H](C[C@@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C28H27F4NO3/c1-17-11-20(25-15-24(36-2)9-10-26(25)29)6-5-19(17)12-18-3-7-22(8-4-18)33-16-21(28(30,31)32)13-23(33)14-27(34)35/h3-11,15,21,23H,12-14,16H2,1-2H3,(H,34,35)/t21-,23-/m1/s1
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n/an/an/an/a 210n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 transfected in HEK293 cells assessed as induction of cAMP accumulation incubated for 30 to 45 mins by HTRF assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267034
PNG
(CHEMBL4098892)
Show SMILES COc1ccc(F)c(c1)-c1cccc(Oc2ccc(cc2)N2CCC[C@H]2CC(O)=O)c1C |r|
Show InChI InChI=1S/C26H26FNO4/c1-17-22(23-16-21(31-2)12-13-24(23)27)6-3-7-25(17)32-20-10-8-18(9-11-20)28-14-4-5-19(28)15-26(29)30/h3,6-13,16,19H,4-5,14-15H2,1-2H3,(H,29,30)/t19-/m0/s1
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n/an/an/an/a 310n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50267037
PNG
(CHEMBL4082975)
Show SMILES Cc1ccccc1Cc1ccc(cc1)N1CC[C@@H]([C@H]1CC(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H27NO2/c1-19-7-5-6-10-22(19)17-20-11-13-23(14-12-20)27-16-15-24(25(27)18-26(28)29)21-8-3-2-4-9-21/h2-14,24-25H,15-18H2,1H3,(H,28,29)/t24-,25-/m1/s1
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n/an/an/an/a 1.10E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50267046
PNG
(CHEMBL4103729)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C19H19Cl2NO3/c20-14-4-3-13(18(21)10-14)12-25-17-7-5-15(6-8-17)22-9-1-2-16(22)11-19(23)24/h3-8,10,16H,1-2,9,11-12H2,(H,23,24)/t16-/m0/s1
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n/an/an/an/a 1.70E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Transactivation of human Gal4 fused PPARgamma-LBD expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay

J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%