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.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50300199   

TargetBile acid receptor(Homo sapiens (Human))
TBA

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(Homo sapiens (Human))
TBA

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