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PubMed code 27825553

Compile data set for download or QSAR
Found 18 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
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50204215
PNG
(CHEMBL3894993)
Show SMILES CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Oc1ncnc(Oc2ccccc2Cl)c1[N+]([O-])=O |r,@@:13,THB:15:13:7:9.10,5:7:9.10:14.13.12|
Show InChI InChI=1S/C22H25ClN4O6/c1-22(2,3)33-21(28)26-13-8-9-14(26)11-15(10-13)31-19-18(27(29)30)20(25-12-24-19)32-17-7-5-4-6-16(17)23/h4-7,12-15H,8-11H2,1-3H3/t13-,14-/m1/s1
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n/an/an/an/a 44n/an/an/an/a



Jiangxi University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cAMP level measured after 60 mins by HTRF assay

Bioorg Med Chem 25: 254-260 (2017)


Article DOI: 10.1016/j.bmc.2016.10.030
BindingDB Entry DOI: 10.7270/Q2Z321MK
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50204230
PNG
(CHEMBL3923279)
Show SMILES CCOC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Nc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |r,@@:11,THB:13:11:5:7.8|
Show InChI InChI=1S/C21H25FN6O6S/c1-3-34-21(29)27-13-4-5-14(27)9-12(8-13)25-19-18(28(30)31)20(24-11-23-19)26-17-7-6-15(10-16(17)22)35(2,32)33/h6-7,10-14H,3-5,8-9H2,1-2H3,(H2,23,24,25,26)/t13-,14-/m1/s1
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n/an/an/an/a>2.00E+3n/an/an/an/a



Jiangxi University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cAMP level measured after 60 mins by HTRF assay

Bioorg Med Chem 25: 254-260 (2017)


Article DOI: 10.1016/j.bmc.2016.10.030
BindingDB Entry DOI: 10.7270/Q2Z321MK
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50204219
PNG
(CHEMBL3893596)
Show SMILES CC(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Oc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |r,@@:12,THB:14:12:6:8.9|
Show InChI InChI=1S/C22H26FN5O7S/c1-12(2)34-22(29)27-13-4-5-14(27)9-15(8-13)35-21-19(28(30)31)20(24-11-25-21)26-18-7-6-16(10-17(18)23)36(3,32)33/h6-7,10-15H,4-5,8-9H2,1-3H3,(H,24,25,26)/t13-,14-/m1/s1
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n/an/an/an/a 0.600n/an/an/an/a



Jiangxi University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cAMP level measured after 60 mins by HTRF assay

Bioorg Med Chem 25: 254-260 (2017)


Article DOI: 10.1016/j.bmc.2016.10.030
BindingDB Entry DOI: 10.7270/Q2Z321MK
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50204220
PNG
(CHEMBL3978259)
Show SMILES CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Nc1ncnc(Nc2ccc(cc2Cl)C#N)c1[N+]([O-])=O |r,@@:13,THB:15:13:7:9.10,5:7:9.10:14.13.12|
Show InChI InChI=1S/C23H26ClN7O4/c1-23(2,3)35-22(32)30-15-5-6-16(30)10-14(9-15)28-20-19(31(33)34)21(27-12-26-20)29-18-7-4-13(11-25)8-17(18)24/h4,7-8,12,14-16H,5-6,9-10H2,1-3H3,(H2,26,27,28,29)/t15-,16-/m1/s1
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n/an/an/an/a 205n/an/an/an/a



Jiangxi University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cAMP level measured after 60 mins by HTRF assay

Bioorg Med Chem 25: 254-260 (2017)


Article DOI: 10.1016/j.bmc.2016.10.030
BindingDB Entry DOI: 10.7270/Q2Z321MK
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50204221
PNG
(CHEMBL3986478)
Show SMILES CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Nc1ncnc(Nc2ccccc2C#N)c1[N+]([O-])=O |r,@@:13,THB:15:13:7:9.10,5:7:9.10:14.13.12|
Show InChI InChI=1S/C23H27N7O4/c1-23(2,3)34-22(31)29-16-8-9-17(29)11-15(10-16)27-20-19(30(32)33)21(26-13-25-20)28-18-7-5-4-6-14(18)12-24/h4-7,13,15-17H,8-11H2,1-3H3,(H2,25,26,27,28)/t16-,17-/m1/s1
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n/an/an/an/a>2.00E+3n/an/an/an/a



Jiangxi University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cAMP level measured after 60 mins by HTRF assay

Bioorg Med Chem 25: 254-260 (2017)


Article DOI: 10.1016/j.bmc.2016.10.030
BindingDB Entry DOI: 10.7270/Q2Z321MK
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50204231
PNG
(CHEMBL3951013)
Show SMILES CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Oc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |r,@@:13,THB:15:13:7:9.10|
Show InChI InChI=1S/C23H28FN5O7S/c1-23(2,3)36-22(30)28-13-5-6-14(28)10-15(9-13)35-21-19(29(31)32)20(25-12-26-21)27-18-8-7-16(11-17(18)24)37(4,33)34/h7-8,11-15H,5-6,9-10H2,1-4H3,(H,25,26,27)/t13-,14-/m1/s1
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n/an/an/an/a 1.5n/an/an/an/a



Jiangxi University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cAMP level measured after 60 mins by HTRF assay

Bioorg Med Chem 25: 254-260 (2017)


Article DOI: 10.1016/j.bmc.2016.10.030
BindingDB Entry DOI: 10.7270/Q2Z321MK
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50204222
PNG
(CHEMBL3946188)
Show SMILES CS(=O)(=O)c1ccc(Nc2ncnc(OC3C[C@H]4CC[C@H](C3)N4S(=O)(=O)c3ccc(F)cc3)c2[N+]([O-])=O)c(F)c1 |r,@:15,TLB:14:15:22:18.19,THB:23:22:18.19:16.15.21|
Show InChI InChI=1S/C24H23F2N5O7S2/c1-39(34,35)19-8-9-21(20(26)12-19)29-23-22(31(32)33)24(28-13-27-23)38-17-10-15-4-5-16(11-17)30(15)40(36,37)18-6-2-14(25)3-7-18/h2-3,6-9,12-13,15-17H,4-5,10-11H2,1H3,(H,27,28,29)/t15-,16-/m1/s1
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n/an/an/an/a 3.5n/an/an/an/a



Jiangxi University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cAMP level measured after 60 mins by HTRF assay

Bioorg Med Chem 25: 254-260 (2017)


Article DOI: 10.1016/j.bmc.2016.10.030
BindingDB Entry DOI: 10.7270/Q2Z321MK
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50204216
PNG
(CHEMBL3903618)
Show SMILES CS(=O)(=O)c1ccc(Nc2ncnc(NC3C[C@H]4CC[C@H](C3)N4S(=O)(=O)c3ccc(F)cc3)c2[N+]([O-])=O)c(F)c1 |r,@:15,TLB:14:15:22:18.19,THB:23:22:18.19:16.15.21|
Show InChI InChI=1S/C24H24F2N6O6S2/c1-39(35,36)19-8-9-21(20(26)12-19)30-24-22(32(33)34)23(27-13-28-24)29-15-10-16-4-5-17(11-15)31(16)40(37,38)18-6-2-14(25)3-7-18/h2-3,6-9,12-13,15-17H,4-5,10-11H2,1H3,(H2,27,28,29,30)/t16-,17-/m1/s1
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n/an/an/an/a>2.00E+3n/an/an/an/a



Jiangxi University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cAMP level measured after 60 mins by HTRF assay

Bioorg Med Chem 25: 254-260 (2017)


Article DOI: 10.1016/j.bmc.2016.10.030
BindingDB Entry DOI: 10.7270/Q2Z321MK
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50204218
PNG
(CHEMBL3930728)
Show SMILES CC(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Nc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |r,@@:12,THB:14:12:6:8.9|
Show InChI InChI=1S/C22H27FN6O6S/c1-12(2)35-22(30)28-14-4-5-15(28)9-13(8-14)26-20-19(29(31)32)21(25-11-24-20)27-18-7-6-16(10-17(18)23)36(3,33)34/h6-7,10-15H,4-5,8-9H2,1-3H3,(H2,24,25,26,27)/t14-,15-/m1/s1
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n/an/an/an/a 6.20n/an/an/an/a



Jiangxi University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cAMP level measured after 60 mins by HTRF assay

Bioorg Med Chem 25: 254-260 (2017)


Article DOI: 10.1016/j.bmc.2016.10.030
BindingDB Entry DOI: 10.7270/Q2Z321MK
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50204225
PNG
(CHEMBL3912040)
Show SMILES CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Nc1ncnc(Nc2ccc(cc2F)C#N)c1[N+]([O-])=O |r,@@:13,THB:15:13:7:9.10,5:7:9.10:14.13.12|
Show InChI InChI=1S/C23H26FN7O4/c1-23(2,3)35-22(32)30-15-5-6-16(30)10-14(9-15)28-20-19(31(33)34)21(27-12-26-20)29-18-7-4-13(11-25)8-17(18)24/h4,7-8,12,14-16H,5-6,9-10H2,1-3H3,(H2,26,27,28,29)/t15-,16-/m1/s1
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n/an/an/an/a 1.30n/an/an/an/a



Jiangxi University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cAMP level measured after 60 mins by HTRF assay

Bioorg Med Chem 25: 254-260 (2017)


Article DOI: 10.1016/j.bmc.2016.10.030
BindingDB Entry DOI: 10.7270/Q2Z321MK
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50204226
PNG
(CHEMBL3914281)
Show SMILES CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Nc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |r,@@:13,THB:15:13:7:9.10|
Show InChI InChI=1S/C23H29FN6O6S/c1-23(2,3)36-22(31)29-14-5-6-15(29)10-13(9-14)27-20-19(30(32)33)21(26-12-25-20)28-18-8-7-16(11-17(18)24)37(4,34)35/h7-8,11-15H,5-6,9-10H2,1-4H3,(H2,25,26,27,28)/t14-,15-/m1/s1
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n/an/an/an/a 1.5n/an/an/an/a



Jiangxi University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cAMP level measured after 60 mins by HTRF assay

Bioorg Med Chem 25: 254-260 (2017)


Article DOI: 10.1016/j.bmc.2016.10.030
BindingDB Entry DOI: 10.7270/Q2Z321MK
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50204223
PNG
(CHEMBL3904015)
Show SMILES CS(=O)(=O)N1[C@@H]2CC[C@@H]1CC(C2)Oc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |r,@@:10,THB:1:4:6.7:11.10.9,12:10:4:6.7|
Show InChI InChI=1S/C19H22FN5O7S2/c1-33(28,29)14-5-6-16(15(20)9-14)23-18-17(25(26)27)19(22-10-21-18)32-13-7-11-3-4-12(8-13)24(11)34(2,30)31/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,21,22,23)/t11-,12-/m1/s1
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n/an/an/an/a 1.60n/an/an/an/a



Jiangxi University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cAMP level measured after 60 mins by HTRF assay

Bioorg Med Chem 25: 254-260 (2017)


Article DOI: 10.1016/j.bmc.2016.10.030
BindingDB Entry DOI: 10.7270/Q2Z321MK
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50204228
PNG
(CHEMBL3894674)
Show SMILES CS(=O)(=O)N1[C@@H]2CC[C@@H]1CC(C2)Nc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |r,@@:10,THB:1:4:6.7:11.10.9,12:10:4:6.7|
Show InChI InChI=1S/C19H23FN6O6S2/c1-33(29,30)14-5-6-16(15(20)9-14)24-19-17(26(27)28)18(21-10-22-19)23-11-7-12-3-4-13(8-11)25(12)34(2,31)32/h5-6,9-13H,3-4,7-8H2,1-2H3,(H2,21,22,23,24)/t12-,13-/m1/s1
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n/an/an/an/a>2.00E+3n/an/an/an/a



Jiangxi University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cAMP level measured after 60 mins by HTRF assay

Bioorg Med Chem 25: 254-260 (2017)


Article DOI: 10.1016/j.bmc.2016.10.030
BindingDB Entry DOI: 10.7270/Q2Z321MK
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50204229
PNG
(CHEMBL3982536)
Show SMILES CCOC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Oc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |r,@@:11,THB:13:11:5:7.8|
Show InChI InChI=1S/C21H24FN5O7S/c1-3-33-21(28)26-12-4-5-13(26)9-14(8-12)34-20-18(27(29)30)19(23-11-24-20)25-17-7-6-15(10-16(17)22)35(2,31)32/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,23,24,25)/t12-,13-/m1/s1
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n/an/an/an/a 1.40n/an/an/an/a



Jiangxi University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cAMP level measured after 60 mins by HTRF assay

Bioorg Med Chem 25: 254-260 (2017)


Article DOI: 10.1016/j.bmc.2016.10.030
BindingDB Entry DOI: 10.7270/Q2Z321MK
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM29080
PNG
(CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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n/an/an/an/a 2.20E+3n/an/an/an/a



Jiangxi University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cAMP level measured after 60 mins by HTRF assay

Bioorg Med Chem 25: 254-260 (2017)


Article DOI: 10.1016/j.bmc.2016.10.030
BindingDB Entry DOI: 10.7270/Q2Z321MK
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50204227
PNG
(CHEMBL3949135)
Show SMILES CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Nc1ncnc(Oc2ccccc2Cl)c1[N+]([O-])=O |r,@@:13,THB:15:13:7:9.10,5:7:9.10:14.13.12|
Show InChI InChI=1S/C22H26ClN5O5/c1-22(2,3)33-21(29)27-14-8-9-15(27)11-13(10-14)26-19-18(28(30)31)20(25-12-24-19)32-17-7-5-4-6-16(17)23/h4-7,12-15H,8-11H2,1-3H3,(H,24,25,26)/t14-,15-/m1/s1
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n/an/an/an/a>2.00E+3n/an/an/an/a



Jiangxi University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cAMP level measured after 60 mins by HTRF assay

Bioorg Med Chem 25: 254-260 (2017)


Article DOI: 10.1016/j.bmc.2016.10.030
BindingDB Entry DOI: 10.7270/Q2Z321MK
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50204224
PNG
(CHEMBL3966031)
Show SMILES CS(=O)(=O)c1ccc(Nc2ncnc(OC3C[C@H]4CC[C@H](C3)N4C(=O)OCC3CC3)c2[N+]([O-])=O)c(F)c1 |r,@:15,TLB:14:15:22:18.19|
Show InChI InChI=1S/C23H26FN5O7S/c1-37(33,34)17-6-7-19(18(24)10-17)27-21-20(29(31)32)22(26-12-25-21)36-16-8-14-4-5-15(9-16)28(14)23(30)35-11-13-2-3-13/h6-7,10,12-16H,2-5,8-9,11H2,1H3,(H,25,26,27)/t14-,15-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/an/an/a>2.00E+3n/an/an/an/a



Jiangxi University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cAMP level measured after 60 mins by HTRF assay

Bioorg Med Chem 25: 254-260 (2017)


Article DOI: 10.1016/j.bmc.2016.10.030
BindingDB Entry DOI: 10.7270/Q2Z321MK
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50204217
PNG
(CHEMBL3921610)
Show SMILES CS(=O)(=O)c1ccc(Nc2ncnc(NC3C[C@H]4CC[C@H](C3)N4C(=O)OCC3CC3)c2[N+]([O-])=O)c(F)c1 |r,@:15,TLB:14:15:22:18.19|
Show InChI InChI=1S/C23H27FN6O6S/c1-37(34,35)17-6-7-19(18(24)10-17)28-22-20(30(32)33)21(25-12-26-22)27-14-8-15-4-5-16(9-14)29(15)23(31)36-11-13-2-3-13/h6-7,10,12-16H,2-5,8-9,11H2,1H3,(H2,25,26,27,28)/t15-,16-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a>2.00E+3n/an/an/an/a



Jiangxi University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cAMP level measured after 60 mins by HTRF assay

Bioorg Med Chem 25: 254-260 (2017)


Article DOI: 10.1016/j.bmc.2016.10.030
BindingDB Entry DOI: 10.7270/Q2Z321MK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%