BDBM50589995 CHEMBL5175578

SMILES CC(C)(O)CCCCC\C(=C/C=C1/C[C@@H](O)C[C@H](O)C1=C)c1cccc(CCCCCC(C)(C)O)c1

InChI Key InChIKey=SQUUCPJJDWEFCT-WWCFBHCMSA-N

Data  1 IC50  1 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 = 50589995   

TargetVitamin D3 receptor(Homo sapiens (Human))
University of Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50589995(CHEMBL5175578)
Affinity DataIC50:  27.3nMAssay Description:Competitive binding affinity to His-tagged human VDR LBD (156 to 453 residues) expressed in Escherichia coli BL23 (DE3) cells in presence of 1,25D3 b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
Target1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial(Homo sapiens (Human))
University of Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50589995(CHEMBL5175578)
Affinity DataEC50:  5.60nMAssay Description:Induction of CYP24A1 (unknown orgin) transcriptional activity trasfected in human MCF7 cells incuabted for 48 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed