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PubMed code 26435512

Compile data set for download or QSAR
Found 6 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
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50375592
PNG
(CHEMBL412272)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1
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Article
PubMed
n/an/an/an/a 680n/an/an/an/a



Heinrich Heine University

Curated by ChEMBL


Assay Description
Agonist activity at wild type human TGR5 expressed in HEK293 cells assessed as rise in intracellular cAMP level incubated for 16 hrs by luciferase re...


Eur J Med Chem 104: 57-72 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.024
BindingDB Entry DOI: 10.7270/Q2S185GG
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50375595
PNG
(CHEMBL185878 | Taurochenodeoxycholate)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=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/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1
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Article
PubMed
n/an/an/an/a 2.96E+4n/an/an/an/a



Heinrich Heine University

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 Y89A mutant expressed in HEK293 cells assessed as rise in intracellular cAMP level incubated for 16 hrs by luciferase ...


Eur J Med Chem 104: 57-72 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.024
BindingDB Entry DOI: 10.7270/Q2S185GG
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50236230
PNG
(2-((R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dih...)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=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/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1
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Article
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n/an/an/an/a 5.05E+4n/an/an/an/a



Heinrich Heine University

Curated by ChEMBL


Assay Description
Agonist activity at wild type human TGR5 expressed in HEK293 cells assessed as rise in intracellular cAMP level incubated for 16 hrs by luciferase re...


Eur J Med Chem 104: 57-72 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.024
BindingDB Entry DOI: 10.7270/Q2S185GG
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50375592
PNG
(CHEMBL412272)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1
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Article
PubMed
n/an/an/an/a 8.90E+3n/an/an/an/a



Heinrich Heine University

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 Y89A mutant expressed in HEK293 cells assessed as rise in intracellular cAMP level incubated for 16 hrs by luciferase ...


Eur J Med Chem 104: 57-72 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.024
BindingDB Entry DOI: 10.7270/Q2S185GG
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50236230
PNG
(2-((R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dih...)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=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/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1
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Article
PubMed
n/an/an/an/a 1.05E+5n/an/an/an/a



Heinrich Heine University

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 Y89A mutant expressed in HEK293 cells assessed as rise in intracellular cAMP level incubated for 16 hrs by luciferase ...


Eur J Med Chem 104: 57-72 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.024
BindingDB Entry DOI: 10.7270/Q2S185GG
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50375595
PNG
(CHEMBL185878 | Taurochenodeoxycholate)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=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/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1
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Article
PubMed
n/an/an/an/a 2.30E+3n/an/an/an/a



Heinrich Heine University

Curated by ChEMBL


Assay Description
Agonist activity at wild type human TGR5 expressed in HEK293 cells assessed as rise in intracellular cAMP level incubated for 16 hrs by luciferase re...


Eur J Med Chem 104: 57-72 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.024
BindingDB Entry DOI: 10.7270/Q2S185GG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%