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Found 40 hits from Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50026240
PNG
(CHEMBL3338194)
Show SMILES CS(=O)(=O)c1ccc(c(F)c1)-n1cc(Cl)c(OC2CCN(CC2)c2ncc(Cl)cn2)cc1=O
Show InChI InChI=1S/C21H19Cl2FN4O4S/c1-33(30,31)15-2-3-18(17(24)8-15)28-12-16(23)19(9-20(28)29)32-14-4-6-27(7-5-14)21-25-10-13(22)11-26-21/h2-3,8-12,14H,4-7H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50026072
PNG
(CHEMBL3338181)
Show SMILES CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2F)S(C)(=O)=O)c(=O)c1
Show InChI InChI=1S/C24H27FN4O4S/c1-3-4-17-15-26-24(27-16-17)28-10-7-18(8-11-28)33-19-9-12-29(23(30)13-19)22-6-5-20(14-21(22)25)34(2,31)32/h5-6,9,12-16,18H,3-4,7-8,10-11H2,1-2H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Activation of PXR (unknown origin)


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026069
PNG
(CHEMBL3338184)
Show SMILES CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1Cl
Show InChI InChI=1S/C24H27ClN4O4S/c1-3-4-17-15-26-24(27-16-17)28-12-9-19(10-13-28)33-21-11-14-29(23(30)22(21)25)18-5-7-20(8-6-18)34(2,31)32/h5-8,11,14-16,19H,3-4,9-10,12-13H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026070
PNG
(CHEMBL3338183)
Show SMILES CCCc1cnc(nc1)N1CCC(CC1)Oc1cc(C)n(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
Show InChI InChI=1S/C25H30N4O4S/c1-4-5-19-16-26-25(27-17-19)28-12-10-21(11-13-28)33-22-14-18(2)29(24(30)15-22)20-6-8-23(9-7-20)34(3,31)32/h6-9,14-17,21H,4-5,10-13H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026071
PNG
(CHEMBL3338182)
Show SMILES CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(c(F)c2)S(C)(=O)=O)c(=O)c1
Show InChI InChI=1S/C24H27FN4O4S/c1-3-4-17-15-26-24(27-16-17)28-10-7-19(8-11-28)33-20-9-12-29(23(30)14-20)18-5-6-22(21(25)13-18)34(2,31)32/h5-6,9,12-16,19H,3-4,7-8,10-11H2,1-2H3
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n/an/an/an/a 9n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026072
PNG
(CHEMBL3338181)
Show SMILES CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2F)S(C)(=O)=O)c(=O)c1
Show InChI InChI=1S/C24H27FN4O4S/c1-3-4-17-15-26-24(27-16-17)28-10-7-18(8-11-28)33-19-9-12-29(23(30)13-19)22-6-5-20(14-21(22)25)34(2,31)32/h5-6,9,12-16,18H,3-4,7-8,10-11H2,1-2H3
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n/an/an/an/a 18n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026073
PNG
(CHEMBL3338180)
Show SMILES CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)-n2ccnc2)c(=O)c1
Show InChI InChI=1S/C26H28N6O2/c1-2-3-20-17-28-26(29-18-20)30-12-8-23(9-13-30)34-24-10-14-32(25(33)16-24)22-6-4-21(5-7-22)31-15-11-27-19-31/h4-7,10-11,14-19,23H,2-3,8-9,12-13H2,1H3
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n/an/an/an/a 95n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026074
PNG
(CHEMBL3338179)
Show SMILES CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)-n2cncn2)c(=O)c1
Show InChI InChI=1S/C25H27N7O2/c1-2-3-19-15-27-25(28-16-19)30-11-8-22(9-12-30)34-23-10-13-31(24(33)14-23)20-4-6-21(7-5-20)32-18-26-17-29-32/h4-7,10,13-18,22H,2-3,8-9,11-12H2,1H3
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n/an/an/an/a 63n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026075
PNG
(CHEMBL3338178)
Show SMILES CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)N2CCCC2=O)c(=O)c1
Show InChI InChI=1S/C27H31N5O3/c1-2-4-20-18-28-27(29-19-20)30-14-10-23(11-15-30)35-24-12-16-32(26(34)17-24)22-8-6-21(7-9-22)31-13-3-5-25(31)33/h6-9,12,16-19,23H,2-5,10-11,13-15H2,1H3
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n/an/an/an/a 32n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026076
PNG
(CHEMBL3338177)
Show SMILES CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(NC(=O)C(C)(C)C)cc2)c(=O)c1
Show InChI InChI=1S/C28H35N5O3/c1-5-6-20-18-29-27(30-19-20)32-14-11-23(12-15-32)36-24-13-16-33(25(34)17-24)22-9-7-21(8-10-22)31-26(35)28(2,3)4/h7-10,13,16-19,23H,5-6,11-12,14-15H2,1-4H3,(H,31,35)
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n/an/an/an/a 37n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026077
PNG
(CHEMBL3338176)
Show SMILES CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)C#N)c(=O)c1
Show InChI InChI=1S/C24H25N5O2/c1-2-3-19-16-26-24(27-17-19)28-11-8-21(9-12-28)31-22-10-13-29(23(30)14-22)20-6-4-18(15-25)5-7-20/h4-7,10,13-14,16-17,21H,2-3,8-9,11-12H2,1H3
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n/an/an/an/a 11n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026175
PNG
(CHEMBL3338175)
Show SMILES CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)[S+](C)[O-])c(=O)c1
Show InChI InChI=1S/C24H28N4O3S/c1-3-4-18-16-25-24(26-17-18)27-12-9-20(10-13-27)31-21-11-14-28(23(29)15-21)19-5-7-22(8-6-19)32(2)30/h5-8,11,14-17,20H,3-4,9-10,12-13H2,1-2H3
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n/an/an/an/a 41n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026176
PNG
(CHEMBL3338174)
Show SMILES CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
Show InChI InChI=1S/C24H28N4O4S/c1-3-4-18-16-25-24(26-17-18)27-12-9-20(10-13-27)32-21-11-14-28(23(29)15-21)19-5-7-22(8-6-19)33(2,30)31/h5-8,11,14-17,20H,3-4,9-10,12-13H2,1-2H3
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n/an/an/an/a 16n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026177
PNG
(CHEMBL3338173)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1ccc(OC2CCN(CC2)c2ncc(cn2)C2CC2)cc1=O
Show InChI InChI=1S/C24H26N4O4S/c1-33(30,31)22-6-4-19(5-7-22)28-13-10-21(14-23(28)29)32-20-8-11-27(12-9-20)24-25-15-18(16-26-24)17-2-3-17/h4-7,10,13-17,20H,2-3,8-9,11-12H2,1H3
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n/an/an/an/a 23n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026178
PNG
(CHEMBL3338172)
Show SMILES COc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
Show InChI InChI=1S/C22H24N4O5S/c1-30-19-14-23-22(24-15-19)25-10-7-17(8-11-25)31-18-9-12-26(21(27)13-18)16-3-5-20(6-4-16)32(2,28)29/h3-6,9,12-15,17H,7-8,10-11H2,1-2H3
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n/an/an/an/a 117n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026179
PNG
(CHEMBL3338171)
Show SMILES Cc1ccnc(n1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
Show InChI InChI=1S/C22H24N4O4S/c1-16-7-11-23-22(24-16)25-12-8-18(9-13-25)30-19-10-14-26(21(27)15-19)17-3-5-20(6-4-17)31(2,28)29/h3-7,10-11,14-15,18H,8-9,12-13H2,1-2H3
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n/an/an/an/a 724n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026180
PNG
(CHEMBL3338170)
Show SMILES CCc1ccc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
Show InChI InChI=1S/C24H27N3O4S/c1-3-18-4-9-23(25-17-18)26-13-10-20(11-14-26)31-21-12-15-27(24(28)16-21)19-5-7-22(8-6-19)32(2,29)30/h4-9,12,15-17,20H,3,10-11,13-14H2,1-2H3
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n/an/an/an/a 104n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026181
PNG
(CHEMBL3338169)
Show SMILES CCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
Show InChI InChI=1S/C23H26N4O4S/c1-3-17-15-24-23(25-16-17)26-11-8-19(9-12-26)31-20-10-13-27(22(28)14-20)18-4-6-21(7-5-18)32(2,29)30/h4-7,10,13-16,19H,3,8-9,11-12H2,1-2H3
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n/an/an/an/a 57n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026190
PNG
(CHEMBL3338168)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1ccc(OC2CCN(CC2)C(=O)Oc2ccccc2)cc1=O
Show InChI InChI=1S/C24H24N2O6S/c1-33(29,30)22-9-7-18(8-10-22)26-16-13-21(17-23(26)27)31-20-11-14-25(15-12-20)24(28)32-19-5-3-2-4-6-19/h2-10,13,16-17,20H,11-12,14-15H2,1H3
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n/an/an/an/a 130n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026191
PNG
(CHEMBL3338167)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
Show InChI InChI=1S/C22H28N2O6S/c1-22(2,3)30-21(26)23-12-9-17(10-13-23)29-18-11-14-24(20(25)15-18)16-5-7-19(8-6-16)31(4,27)28/h5-8,11,14-15,17H,9-10,12-13H2,1-4H3
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n/an/an/an/a 183n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026192
PNG
(CHEMBL3338166)
Show SMILES CC(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
Show InChI InChI=1S/C23H28N2O6S/c1-15(2)30-23(27)25-17-4-5-18(25)13-20(12-17)31-19-10-11-24(22(26)14-19)16-6-8-21(9-7-16)32(3,28)29/h6-11,14-15,17-18,20H,4-5,12-13H2,1-3H3/t17-,18-/m1/s1
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n/an/an/an/a 3.50E+3n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026192
PNG
(CHEMBL3338166)
Show SMILES CC(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
Show InChI InChI=1S/C23H28N2O6S/c1-15(2)30-23(27)25-17-4-5-18(25)13-20(12-17)31-19-10-11-24(22(26)14-19)16-6-8-21(9-7-16)32(3,28)29/h6-11,14-15,17-18,20H,4-5,12-13H2,1-3H3/t17-,18-/m1/s1
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n/an/an/an/a 870n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026194
PNG
(CHEMBL3338165)
Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
Show InChI InChI=1S/C21H26N2O6S/c1-15(2)28-21(25)22-11-8-17(9-12-22)29-18-10-13-23(20(24)14-18)16-4-6-19(7-5-16)30(3,26)27/h4-7,10,13-15,17H,8-9,11-12H2,1-3H3
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n/an/an/an/a 133n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026195
PNG
(CHEMBL3338164)
Show SMILES CC(C)OC(=O)N1CCCC(CC1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
Show InChI InChI=1S/C22H28N2O6S/c1-16(2)29-22(26)23-12-4-5-18(10-13-23)30-19-11-14-24(21(25)15-19)17-6-8-20(9-7-17)31(3,27)28/h6-9,11,14-16,18H,4-5,10,12-13H2,1-3H3
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n/an/an/an/a 1.09E+3n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026196
PNG
(CHEMBL3338163)
Show SMILES CC(C)OC(=O)N1CC(C1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
Show InChI InChI=1S/C19H22N2O6S/c1-13(2)26-19(23)20-11-16(12-20)27-15-8-9-21(18(22)10-15)14-4-6-17(7-5-14)28(3,24)25/h4-10,13,16H,11-12H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026198
PNG
(CHEMBL3338162)
Show SMILES CC(C)OC(=O)N1CC(COc2ccn(-c3ccc(cc3)S(C)(=O)=O)c(=O)c2)C1
Show InChI InChI=1S/C20H24N2O6S/c1-14(2)28-20(24)21-11-15(12-21)13-27-17-8-9-22(19(23)10-17)16-4-6-18(7-5-16)29(3,25)26/h4-10,14-15H,11-13H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026199
PNG
(CHEMBL3338161)
Show SMILES CC(C)OC(=O)N1CCC(C1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
Show InChI InChI=1S/C20H24N2O6S/c1-14(2)27-20(24)21-10-8-17(13-21)28-16-9-11-22(19(23)12-16)15-4-6-18(7-5-15)29(3,25)26/h4-7,9,11-12,14,17H,8,10,13H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026200
PNG
(CHEMBL3338160)
Show SMILES CC(C)OC(=O)N1CCC(COc2ccn(-c3ccc(cc3)S(C)(=O)=O)c(=O)c2)C1
Show InChI InChI=1S/C21H26N2O6S/c1-15(2)29-21(25)22-10-8-16(13-22)14-28-18-9-11-23(20(24)12-18)17-4-6-19(7-5-17)30(3,26)27/h4-7,9,11-12,15-16H,8,10,13-14H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026201
PNG
(CHEMBL3338159)
Show SMILES CC(C)OC(=O)N1CCC(COc2ccn(-c3ccc(cc3)S(C)(=O)=O)c(=O)c2)CC1
Show InChI InChI=1S/C22H28N2O6S/c1-16(2)30-22(26)23-11-8-17(9-12-23)15-29-19-10-13-24(21(25)14-19)18-4-6-20(7-5-18)31(3,27)28/h4-7,10,13-14,16-17H,8-9,11-12,15H2,1-3H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026202
PNG
(CHEMBL3338187)
Show SMILES CCCc1cnc(nc1)N1CCC(CC1)Oc1cc(=O)n(cc1C#N)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C25H27N5O4S/c1-3-4-18-15-27-25(28-16-18)29-11-9-21(10-12-29)34-23-13-24(31)30(17-19(23)14-26)20-5-7-22(8-6-20)35(2,32)33/h5-8,13,15-17,21H,3-4,9-12H2,1-2H3
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n/an/an/an/a 12n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026204
PNG
(CHEMBL3338188)
Show SMILES CCCc1cnc(nc1)N1CCC(CC1)Oc1cc(=O)n(cc1Cl)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H27ClN4O4S/c1-3-4-17-14-26-24(27-15-17)28-11-9-19(10-12-28)33-22-13-23(30)29(16-21(22)25)18-5-7-20(8-6-18)34(2,31)32/h5-8,13-16,19H,3-4,9-12H2,1-2H3
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n/an/an/an/a 5n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026235
PNG
(CHEMBL3338189)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cc(Cl)c(OC2CCN(CC2)c2ncc(cn2)C(F)(F)F)cc1=O
Show InChI InChI=1S/C22H20ClF3N4O4S/c1-35(32,33)17-4-2-15(3-5-17)30-13-18(23)19(10-20(30)31)34-16-6-8-29(9-7-16)21-27-11-14(12-28-21)22(24,25)26/h2-5,10-13,16H,6-9H2,1H3
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n/an/an/an/a 13n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026236
PNG
(CHEMBL3338190)
Show SMILES CS(=O)(=O)c1ccc(c(F)c1)-n1cc(Cl)c(OC2CCN(CC2)c2ncc(cn2)C(F)(F)F)cc1=O
Show InChI InChI=1S/C22H19ClF4N4O4S/c1-36(33,34)15-2-3-18(17(24)8-15)31-12-16(23)19(9-20(31)32)35-14-4-6-30(7-5-14)21-28-10-13(11-29-21)22(25,26)27/h2-3,8-12,14H,4-7H2,1H3
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n/an/an/an/a 12n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026237
PNG
(CHEMBL3338191)
Show SMILES CS(=O)(=O)c1ccc(cc1F)-n1cc(Cl)c(OC2CCN(CC2)c2ncc(cn2)C(F)(F)F)cc1=O
Show InChI InChI=1S/C22H19ClF4N4O4S/c1-36(33,34)19-3-2-14(8-17(19)24)31-12-16(23)18(9-20(31)32)35-15-4-6-30(7-5-15)21-28-10-13(11-29-21)22(25,26)27/h2-3,8-12,15H,4-7H2,1H3
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n/an/an/an/a 16n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026238
PNG
(CHEMBL3338192)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cc(Cl)c(OC2CCN(CC2)c2ncc(Cl)cn2)cc1=O
Show InChI InChI=1S/C21H20Cl2N4O4S/c1-32(29,30)17-4-2-15(3-5-17)27-13-18(23)19(10-20(27)28)31-16-6-8-26(9-7-16)21-24-11-14(22)12-25-21/h2-5,10-13,16H,6-9H2,1H3
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n/an/an/an/a 18n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026239
PNG
(CHEMBL3338193)
Show SMILES CS(=O)(=O)c1ccc(cc1F)-n1cc(Cl)c(OC2CCN(CC2)c2ncc(Cl)cn2)cc1=O
Show InChI InChI=1S/C21H19Cl2FN4O4S/c1-33(30,31)19-3-2-14(8-17(19)24)28-12-16(23)18(9-20(28)29)32-15-4-6-27(7-5-15)21-25-10-13(22)11-26-21/h2-3,8-12,15H,4-7H2,1H3
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n/an/an/an/a 13n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026240
PNG
(CHEMBL3338194)
Show SMILES CS(=O)(=O)c1ccc(c(F)c1)-n1cc(Cl)c(OC2CCN(CC2)c2ncc(Cl)cn2)cc1=O
Show InChI InChI=1S/C21H19Cl2FN4O4S/c1-33(30,31)15-2-3-18(17(24)8-15)28-12-16(23)19(9-20(28)29)32-14-4-6-27(7-5-14)21-25-10-13(22)11-26-21/h2-3,8-12,14H,4-7H2,1H3
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n/an/an/an/a 14n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50026240
PNG
(CHEMBL3338194)
Show SMILES CS(=O)(=O)c1ccc(c(F)c1)-n1cc(Cl)c(OC2CCN(CC2)c2ncc(Cl)cn2)cc1=O
Show InChI InChI=1S/C21H19Cl2FN4O4S/c1-33(30,31)15-2-3-18(17(24)8-15)28-12-16(23)19(9-20(28)29)32-14-4-6-27(7-5-14)21-25-10-13(22)11-26-21/h2-3,8-12,14H,4-7H2,1H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Activation of PXR (unknown origin)


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026067
PNG
(CHEMBL3338186)
Show SMILES CCCc1cnc(nc1)N1CCC(CC1)Oc1cc(=O)n(cc1-c1ccccc1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C30H32N4O4S/c1-3-7-22-19-31-30(32-20-22)33-16-14-25(15-17-33)38-28-18-29(35)34(21-27(28)23-8-5-4-6-9-23)24-10-12-26(13-11-24)39(2,36)37/h4-6,8-13,18-21,25H,3,7,14-17H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50026068
PNG
(CHEMBL3338185)
Show SMILES CCCc1cnc(nc1)N1CCC(CC1)Oc1cc(=O)n(cc1C)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C25H30N4O4S/c1-4-5-19-15-26-25(27-16-19)28-12-10-21(11-13-28)33-23-14-24(30)29(17-18(23)2)20-6-8-22(9-7-20)34(3,31)32/h6-9,14-17,21H,4-5,10-13H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 31n/an/an/an/a



Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119


J Med Chem 57: 7499-508 (2014)


Article DOI: 10.1021/jm501175v
BindingDB Entry DOI: 10.7270/Q2K35W7Q
More data for this
Ligand-Target Pair