BDBM50534817 CHEMBL4569647

SMILES CN1CCN(CCOc2ccc(cc2)C2CCN(CC2)c2ccc3nnc(n3n2)C(F)(F)F)CC1=O

InChI Key InChIKey=OCRXWSOQYLSWTR-UHFFFAOYSA-N

Data  3 KI  2 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 5 hits for monomerid = 50534817   

TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50534817(CHEMBL4569647)
Affinity DataKi:  200nMAssay Description:Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50534817(CHEMBL4569647)
Affinity DataKi:  316nMAssay Description:Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50534817(CHEMBL4569647)
Affinity DataKi:  1.00E+3nMAssay Description:Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 1 (44 to 460 residues) N140A mutant (unknown origin) incubated for 1 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50534817(CHEMBL4569647)
Affinity DataIC50:  316nMAssay Description:Inhibition of BRD4 in human LNCAP cells assessed as down regulation of nuclear AR level by immunofluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50534817(CHEMBL4569647)
Affinity DataIC50:  501nMAssay Description:Inhibition of BRD4 in human MCF7 cells assessed as down regulation of ERalpha after 18 to 24 hrs by Hoechst staining based cellomics arrayscan analys...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed