BDBM50253440 CHEMBL494493::N4-Benzyl-N2-isobutyl-6-(3-methyl-butyl)-pyrimidine-2,4-diamine

SMILES CC(C)CCc1cc(NCc2ccccc2)nc(NCC(C)C)n1

InChI Key InChIKey=WWRVFAADJGIWGG-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 = 50253440   

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

Curated by ChEMBL
LigandPNGBDBM50253440(N4-Benzyl-N2-isobutyl-6-(3-methyl-butyl)-pyrimidin...)
Affinity DataIC50: 5.80E+3nMAssay 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(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50253440(N4-Benzyl-N2-isobutyl-6-(3-methyl-butyl)-pyrimidin...)
Affinity DataKi:  5.80E+3nMAssay 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
TargetEstrogen receptor beta(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50253440(N4-Benzyl-N2-isobutyl-6-(3-methyl-butyl)-pyrimidin...)
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