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Compile Data Set for Download or QSAR

Found 9 hits from College of Pharmacy of Kangwon National University   
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
G-protein coupled receptor 119 (GPR119)


(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



College of Pharmacy of Kangwon National University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 transfected in HEK293 cells assessed as concentration for 50 % cAMP stimulation of oleylethanolamine


Bioorg Med Chem Lett 23: 1519-21 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.011
BindingDB Entry DOI: 10.7270/Q2SQ91Q7
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50427059
PNG
(CHEMBL2322837)
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
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-/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



College of Pharmacy of Kangwon National University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 transfected in HEK293 cells assessed as concentration for 50 % cAMP stimulation of oleylethanolamine


Bioorg Med Chem Lett 23: 1519-21 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.011
BindingDB Entry DOI: 10.7270/Q2SQ91Q7
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50427060
PNG
(CHEMBL2322838)
Show SMILES CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C2)Oc1ncnc(Nc2ccc(cc2)S(C)(=O)=O)c1[N+]([O-])=O
Show InChI InChI=1S/C23H29N5O7S/c1-23(2,3)35-22(29)27-15-7-8-16(27)12-17(11-15)34-21-19(28(30)31)20(24-13-25-21)26-14-5-9-18(10-6-14)36(4,32)33/h5-6,9-10,13,15-17H,7-8,11-12H2,1-4H3,(H,24,25,26)/t15-,16-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



College of Pharmacy of Kangwon National University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 transfected in HEK293 cells assessed as concentration for 50 % cAMP stimulation of oleylethanolamine


Bioorg Med Chem Lett 23: 1519-21 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.011
BindingDB Entry DOI: 10.7270/Q2SQ91Q7
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50427059
PNG
(CHEMBL2322837)
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
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-/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



College of Pharmacy of Kangwon National University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 transfected in HEK293 cells assessed as concentration for 50 % cAMP stimulation of oleylethanolamine


Bioorg Med Chem Lett 23: 1519-21 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.011
BindingDB Entry DOI: 10.7270/Q2SQ91Q7
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50427064
PNG
(CHEMBL2322842)
Show SMILES CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C2)Nc1ncnc(Nc2ccc(cc2)S(C)(=O)=O)c1[N+]([O-])=O
Show InChI InChI=1S/C23H30N6O6S/c1-23(2,3)35-22(30)28-16-7-8-17(28)12-15(11-16)27-21-19(29(31)32)20(24-13-25-21)26-14-5-9-18(10-6-14)36(4,33)34/h5-6,9-10,13,15-17H,7-8,11-12H2,1-4H3,(H2,24,25,26,27)/t16-,17-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



College of Pharmacy of Kangwon National University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 transfected in HEK293 cells assessed as concentration for 50 % cAMP stimulation of oleylethanolamine


Bioorg Med Chem Lett 23: 1519-21 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.011
BindingDB Entry DOI: 10.7270/Q2SQ91Q7
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50427061
PNG
(CHEMBL2322839)
Show SMILES CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CNc1ncnc(Nc3ccc(cc3F)S(C)(=O)=O)c1[N+]([O-])=O)C2
Show InChI InChI=1S/C24H31FN6O6S/c1-24(2,3)37-23(32)30-15-5-6-16(30)10-14(9-15)12-26-21-20(31(33)34)22(28-13-27-21)29-19-8-7-17(11-18(19)25)38(4,35)36/h7-8,11,13-16H,5-6,9-10,12H2,1-4H3,(H2,26,27,28,29)/t15-,16-/m0/s1
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n/an/an/an/a 6.70n/an/an/an/a



College of Pharmacy of Kangwon National University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 transfected in HEK293 cells assessed as concentration for 50 % cAMP stimulation of oleylethanolamine


Bioorg Med Chem Lett 23: 1519-21 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.011
BindingDB Entry DOI: 10.7270/Q2SQ91Q7
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50427062
PNG
(CHEMBL2322840)
Show SMILES CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CNc1ncnc(Nc3ccc(cc3)S(C)(=O)=O)c1[N+]([O-])=O)C2
Show InChI InChI=1S/C24H32N6O6S/c1-24(2,3)36-23(31)29-17-7-8-18(29)12-15(11-17)13-25-21-20(30(32)33)22(27-14-26-21)28-16-5-9-19(10-6-16)37(4,34)35/h5-6,9-10,14-15,17-18H,7-8,11-13H2,1-4H3,(H2,25,26,27,28)/t17-,18-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



College of Pharmacy of Kangwon National University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 transfected in HEK293 cells assessed as concentration for 50 % cAMP stimulation of oleylethanolamine


Bioorg Med Chem Lett 23: 1519-21 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.011
BindingDB Entry DOI: 10.7270/Q2SQ91Q7
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50427063
PNG
(CHEMBL2322841)
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
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-/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



College of Pharmacy of Kangwon National University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 transfected in HEK293 cells assessed as concentration for 50 % cAMP stimulation of oleylethanolamine


Bioorg Med Chem Lett 23: 1519-21 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.011
BindingDB Entry DOI: 10.7270/Q2SQ91Q7
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50427060
PNG
(CHEMBL2322838)
Show SMILES CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C2)Oc1ncnc(Nc2ccc(cc2)S(C)(=O)=O)c1[N+]([O-])=O
Show InChI InChI=1S/C23H29N5O7S/c1-23(2,3)35-22(29)27-15-7-8-16(27)12-17(11-15)34-21-19(28(30)31)20(24-13-25-21)26-14-5-9-18(10-6-14)36(4,32)33/h5-6,9-10,13,15-17H,7-8,11-12H2,1-4H3,(H,24,25,26)/t15-,16-/m0/s1
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n/an/an/an/a 4.90n/an/an/an/a



College of Pharmacy of Kangwon National University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 transfected in HEK293 cells assessed as concentration for 50 % cAMP stimulation of oleylethanolamine


Bioorg Med Chem Lett 23: 1519-21 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.011
BindingDB Entry DOI: 10.7270/Q2SQ91Q7
More data for this
Ligand-Target Pair