BDBM50536781 CHEMBL4520775

SMILES CC1=C(CCc2nnn[nH]2)c2cc(F)ccc2/C1=C\c1ccc(C(C)C)cc1

InChI Key InChIKey=XBRDZHUUARVXDN-UHFFFAOYSA-N

Data  1 IC50

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 1 hit for monomerid = 50536781   

TargetRetinoic acid receptor RXR-alpha(Human)
Vitae Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50536781BDBM50536781(CHEMBL4520775)
Affinity DataIC50: 1.00E+4nMAssay Description:Binding affinity to human GST-tagged RXRalpha ligand binding domain (223 to 462 residues) expressed in Escherichia coli BL21 assessed as inhibition o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)