BDBM220412 US9296741, 1

SMILES CN1C=C(c2cc[nH]c2C1=O)c3ccccc3Oc4ccccc4

InChI Key InChIKey=NUAFIMXCNWRSMX-UHFFFAOYSA-N

Data  3 KI  1 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 220412   

TargetBromodomain-containing protein 4(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM220412(US9296741, 1)
Affinity DataEC50:  480nMAssay Description:Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400-mediated transcriptional repression after 24 hrs by Bright-Glo lucif...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2019
Entry Details Article
PubMed
TargetBromodomain-containing protein 4 [352-457](Human)
Abbvie

US Patent
LigandPNGBDBM220412(US9296741, 1)
Affinity DataKi:  41nM ΔG°:  -10.1kcal/molepH: 6.0 T: 2°CAssay Description:A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2017
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM220412(US9296741, 1)
Affinity DataKi:  48nMAssay Description:Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2019
Entry Details Article
PubMed
TargetBromodomain-containing protein 4 [57-168](Human)
Abbvie

US Patent
LigandPNGBDBM220412(US9296741, 1)
Affinity DataKi:  136nM ΔG°:  -9.36kcal/molepH: 6.0 T: 2°CAssay Description:A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2017
Entry Details
Go to US Patent