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Compile Data Set for Download or QSAR

Found 9 hits of ph data with Target = 'G-protein coupled bile acid receptor 1'   
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
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM21674
PNG
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
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Article
PubMed
n/an/an/an/a 6.71E+3n/an/a7.237



University di Perugia



Assay Description
For transient transfection assays to analyze TGR5 activity, Chinese hamster ovary (CHO) cells were transfected with hTGR5 expression plasmid, cAMP-re...


J Med Chem 50: 4265-8 (2007)


Article DOI: 10.1021/jm070633p
BindingDB Entry DOI: 10.7270/Q2JS9NQ6
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM21675
PNG
((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1
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PubMed
n/an/an/an/a 755n/an/a7.237



University di Perugia



Assay Description
For transient transfection assays to analyze TGR5 activity, Chinese hamster ovary (CHO) cells were transfected with hTGR5 expression plasmid, cAMP-re...


J Med Chem 50: 4265-8 (2007)


Article DOI: 10.1021/jm070633p
BindingDB Entry DOI: 10.7270/Q2JS9NQ6
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM21676
PNG
((2S,4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-di...)
Show SMILES C[C@H](C[C@H](C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C25H42O4/c1-14(11-15(2)23(28)29)18-5-6-19-22-20(8-10-25(18,19)4)24(3)9-7-17(26)12-16(24)13-21(22)27/h14-22,26-27H,5-13H2,1-4H3,(H,28,29)/t14-,15+,16+,17-,18-,19+,20+,21-,22+,24+,25-/m1/s1
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PubMed
n/an/an/an/a 3.58E+3n/an/a7.237



University di Perugia



Assay Description
For transient transfection assays to analyze TGR5 activity, Chinese hamster ovary (CHO) cells were transfected with hTGR5 expression plasmid, cAMP-re...


J Med Chem 50: 4265-8 (2007)


Article DOI: 10.1021/jm070633p
BindingDB Entry DOI: 10.7270/Q2JS9NQ6
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM21677
PNG
((2R,4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-di...)
Show SMILES C[C@H](C[C@@H](C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C25H42O4/c1-14(11-15(2)23(28)29)18-5-6-19-22-20(8-10-25(18,19)4)24(3)9-7-17(26)12-16(24)13-21(22)27/h14-22,26-27H,5-13H2,1-4H3,(H,28,29)/t14-,15-,16+,17-,18-,19+,20+,21-,22+,24+,25-/m1/s1
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n/an/an/an/a 2.55E+4n/an/a7.237



University di Perugia



Assay Description
For transient transfection assays to analyze TGR5 activity, Chinese hamster ovary (CHO) cells were transfected with hTGR5 expression plasmid, cAMP-re...


J Med Chem 50: 4265-8 (2007)


Article DOI: 10.1021/jm070633p
BindingDB Entry DOI: 10.7270/Q2JS9NQ6
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM21682
PNG
((2R,4R)-2-methyl-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15...)
Show SMILES C[C@H](C[C@@H](C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C25H42O5/c1-13(9-14(2)23(29)30)17-5-6-18-22-19(12-21(28)25(17,18)4)24(3)8-7-16(26)10-15(24)11-20(22)27/h13-22,26-28H,5-12H2,1-4H3,(H,29,30)/t13-,14-,15+,16-,17-,18+,19+,20-,21+,22+,24+,25-/m1/s1
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PubMed
n/an/an/an/a>5.19E+4n/an/a7.237



University di Perugia



Assay Description
For transient transfection assays to analyze TGR5 activity, Chinese hamster ovary (CHO) cells were transfected with hTGR5 expression plasmid, cAMP-re...


J Med Chem 50: 4265-8 (2007)


Article DOI: 10.1021/jm070633p
BindingDB Entry DOI: 10.7270/Q2JS9NQ6
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM21679
PNG
((2S,4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-e...)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@H](C)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C27H46O4/c1-6-18-22-14-17(28)9-11-27(22,5)21-10-12-26(4)19(15(2)13-16(3)25(30)31)7-8-20(26)23(21)24(18)29/h15-24,28-29H,6-14H2,1-5H3,(H,30,31)/t15-,16+,17-,18-,19-,20+,21+,22+,23+,24-,26-,27-/m1/s1
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n/an/an/an/a 95n/an/a7.237



University di Perugia



Assay Description
For transient transfection assays to analyze TGR5 activity, Chinese hamster ovary (CHO) cells were transfected with hTGR5 expression plasmid, cAMP-re...


J Med Chem 50: 4265-8 (2007)


Article DOI: 10.1021/jm070633p
BindingDB Entry DOI: 10.7270/Q2JS9NQ6
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM21680
PNG
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,1...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
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Article
PubMed
n/an/an/an/a 1.36E+4n/an/a7.237



University di Perugia



Assay Description
For transient transfection assays to analyze TGR5 activity, Chinese hamster ovary (CHO) cells were transfected with hTGR5 expression plasmid, cAMP-re...


J Med Chem 50: 4265-8 (2007)


Article DOI: 10.1021/jm070633p
BindingDB Entry DOI: 10.7270/Q2JS9NQ6
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM21681
PNG
((2S,4R)-2-methyl-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15...)
Show SMILES C[C@H](C[C@H](C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C25H42O5/c1-13(9-14(2)23(29)30)17-5-6-18-22-19(12-21(28)25(17,18)4)24(3)8-7-16(26)10-15(24)11-20(22)27/h13-22,26-28H,5-12H2,1-4H3,(H,29,30)/t13-,14+,15+,16-,17-,18+,19+,20-,21+,22+,24+,25-/m1/s1
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n/an/an/an/a 4.39E+3n/an/a7.237



University di Perugia



Assay Description
For transient transfection assays to analyze TGR5 activity, Chinese hamster ovary (CHO) cells were transfected with hTGR5 expression plasmid, cAMP-re...


J Med Chem 50: 4265-8 (2007)


Article DOI: 10.1021/jm070633p
BindingDB Entry DOI: 10.7270/Q2JS9NQ6
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM21678
PNG
((2S,4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-5,9...)
Show SMILES C[C@H](C[C@H](C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](C)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C26H44O4/c1-14(12-15(2)24(29)30)18-6-7-19-22-20(9-11-25(18,19)4)26(5)10-8-17(27)13-21(26)16(3)23(22)28/h14-23,27-28H,6-13H2,1-5H3,(H,29,30)/t14-,15+,16-,17-,18-,19+,20+,21+,22+,23-,25-,26-/m1/s1
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n/an/an/an/a 140n/an/a7.237



University di Perugia



Assay Description
For transient transfection assays to analyze TGR5 activity, Chinese hamster ovary (CHO) cells were transfected with hTGR5 expression plasmid, cAMP-re...


J Med Chem 50: 4265-8 (2007)


Article DOI: 10.1021/jm070633p
BindingDB Entry DOI: 10.7270/Q2JS9NQ6
More data for this
Ligand-Target Pair