BDBM50300199 6alpha-ethyl-23(S)-methyl-cholic acid::CHEMBL567640

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)[C@@H](O)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12

InChI Key InChIKey=NPBCMXATLRCCLF-IRRLEISYSA-N

Data  18 EC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50300199   

TargetG-protein coupled bile acid receptor 1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50300199(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Affinity DataEC50:  1.30E+4nMAssay Description:Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP productionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetG-protein coupled bile acid receptor 1(Mouse)
Henan University

Curated by ChEMBL
LigandPNGBDBM50300199(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Affinity DataEC50:  132nMAssay Description:Agonist activity at mouse TGR5 transfected in HEK293T cells assessed intracellular cAMP level by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetG-protein coupled bile acid receptor 1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50300199(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Affinity DataEC50:  180nMAssay Description:Agonist activity at wild type TGR5 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetG-protein coupled bile acid receptor 1(Mouse)
Henan University

Curated by ChEMBL
LigandPNGBDBM50300199(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Affinity DataEC50:  360nMAssay Description:Agonist activity at mouse TGR5 expressed in HEK293 cells assessed CRE-induced luciferase activity after 5.5 hrs by reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetG-protein coupled bile acid receptor 1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50300199(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Affinity DataEC50:  1.23E+3nMAssay Description:Agonist activity at human TGR5 expressed in HEK293 cells assessed CRE-induced luciferase activity after 5.5 hrs by reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetG-protein coupled bile acid receptor 1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50300199(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Affinity DataEC50:  5.54E+3nMAssay Description:Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetG-protein coupled bile acid receptor 1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50300199(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Affinity DataEC50:  166nMAssay Description:Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetG-protein coupled bile acid receptor 1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50300199(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Affinity DataEC50:  3.44E+3nMAssay Description:Agonist activity at human TGR5 expressed in CHO cells assessed as increase in CRE-driven gene expression by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetBile acid receptor(Human)
Universita Di Perugia

Curated by ChEMBL
LigandPNGBDBM50300199(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at FXR expressed in COS1 cells by cell-based bioluminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBile acid receptor(Human)
Universita Di Perugia

Curated by ChEMBL
LigandPNGBDBM50300199(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at GST-tagged FXR-LBD using biotinylated-SRC-1 peptide as substrate preincubated with compound for 30 mins measured after 4 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetG-protein coupled bile acid receptor 1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50300199(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Affinity DataEC50:  820nMAssay Description:Agonist activity at TGR5 expressed in NCI-H716 cells assessed as cAMP level after 60 mins by FRET analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetG-protein coupled bile acid receptor 1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50300199(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Affinity DataEC50:  1.00E+3nMAssay Description:Agonist activity at human TGR5 expressed in HEK293 cells assessed as CRE-driven luciferase reporter gene activity incubated for 5.5 hrs and measured ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetG-protein coupled bile acid receptor 1(Mouse)
Henan University

Curated by ChEMBL
LigandPNGBDBM50300199(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Affinity DataEC50:  251nMAssay Description:Agonist activity at mouse TGR5 expressed in HEK293 cells assessed as CRE-driven luciferase reporter incubated for 5.5 hrs and measured by Steady Glow...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBile acid receptor(Human)
Universita Di Perugia

Curated by ChEMBL
LigandPNGBDBM50300199(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at glutathione transferase-tagged human FXR-LBD using biotinylated Src-1 peptide incubated for 30 mins by recruitment coactivator as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetG-protein coupled bile acid receptor 1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50300199(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Affinity DataEC50:  900nMAssay Description:Agonist activity at TGR5 in human NCI-H716 cells assessed as stimulation of intracellular cAMP accumulation incubated for 60 mins by HTR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetG-protein coupled bile acid receptor 1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50300199(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Affinity DataEC50:  96nMAssay Description:Agonist activity at human TGR5 expressed in HEK293 cells measured after 30 mins by cAMP substrate based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetG-protein coupled bile acid receptor 1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50300199(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Affinity DataEC50:  820nMAssay Description:Agonist activity at human TGR5 transfected in HEK293T cells assessed intracellular cAMP level by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetG-protein coupled bile acid receptor 1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50300199(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Affinity DataEC50:  293nMAssay Description:Agonist activity at human TGR5 expressed in HEK293 cells assessed as cAMP level after 48 hrs by fluorescent assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)