BDBM50559581 CHEMBL4747457

SMILES Cc1cc(\C=C\C(O)=O)c(C)n1-c1ccc(cc1)C(C)(C)C

InChI Key InChIKey=SQSSNDLMMQDSMJ-UHFFFAOYSA-N

Data  1 Kd  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50559581   

TargetBile acid receptor(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50559581(CHEMBL4747457)
Affinity DataEC50:  1.40E+3nMAssay Description:Agonist activity at human FXR-LBD transfected in human HEK293T cells co-expressing pFR-Luc/pRL incubated for 14 to 16 hrs by hybrid reporter gene ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetBile acid receptor(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50559581(CHEMBL4747457)
Affinity DataKd:  4.00E+3nMAssay Description:Binding affinity to recombinant FXR-LBD (unknown origin) expressed in Escherichia coli BL21 (DE3) gold cells by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetRetinoic acid receptor RXR-alpha(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50559581(CHEMBL4747457)
Affinity DataEC50:  1.64E+4nMAssay Description:Agonist activity at human RXRalpha transfected in human HEK293T cells co-expressing pFR/pRL-Luc incubated for 14 to 16 hrs by hybrid reporter gene as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed