BDBM50253351 CHEMBL495135::N2-Benzyl-N4-isobutyl-6-phenethyl-pyrimidine-2,4-diamine

SMILES CC(C)CNc1cc(CCc2ccccc2)nc(NCc2ccccc2)n1

InChI Key InChIKey=NZSOCGCVTLRCCI-UHFFFAOYSA-N

Data  2 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50253351   

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

Curated by ChEMBL
LigandPNGBDBM50253351(N2-Benzyl-N4-isobutyl-6-phenethyl-pyrimidine-2,4-d...)
Affinity DataIC50: 4.50E+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
LigandPNGBDBM50253351(N2-Benzyl-N4-isobutyl-6-phenethyl-pyrimidine-2,4-d...)
Affinity DataKi:  7.60E+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
LigandPNGBDBM50253351(N2-Benzyl-N4-isobutyl-6-phenethyl-pyrimidine-2,4-d...)
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