BDBM50253455 2,4,6-Tris-isobutylsulfanyl-pyrimidine::CHEMBL499809

SMILES CC(C)CSc1cc(SCC(C)C)nc(SCC(C)C)n1

InChI Key InChIKey=LFOJKMYMKNNMCC-UHFFFAOYSA-N

Data  2 KI  1 IC50

  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 3 hits for monomerid = 50253455   

TargetEstrogen receptor(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50253455(2,4,6-Tris-isobutylsulfanyl-pyrimidine | CHEMBL499...)
Affinity DataIC50: 1.00E+6nMAssay Description:Antagonist activity at ERalpha in human HEC1 cells assessed as inhibition of estrogen-induced transcriptional activity after 24 hrs by reporter gene ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetEstrogen receptor beta(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50253455(2,4,6-Tris-isobutylsulfanyl-pyrimidine | CHEMBL499...)
Affinity DataKi: >1.00E+6nMAssay Description:Binding affinity to ERbeta assessed as inhibition of fluorescein-labeled nuclear receptor domain of steroid receptor coactivator 3 by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50253455(2,4,6-Tris-isobutylsulfanyl-pyrimidine | CHEMBL499...)
Affinity DataKi: >1.00E+6nMAssay Description:Binding affinity to ERalpha assessed as inhibition of fluorescein-labeled nuclear receptor domain of steroid receptor coactivator 3 by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed