BDBM220415 US9296741, 4

SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O

InChI Key InChIKey=JEALBKSAOZOBET-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
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 4 hits for monomerid = 220415   

TargetBromodomain-containing protein 4(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM220415(US9296741, 4)
Affinity DataEC50:  11nMAssay 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 [57-168](Human)
Abbvie

US Patent
LigandPNGBDBM220415(US9296741, 4)
Affinity DataKi:  1.40nM ΔG°:  -12.1kcal/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

TargetBromodomain-containing protein 4 [352-457](Human)
Abbvie

US Patent
LigandPNGBDBM220415(US9296741, 4)
Affinity DataKi:  2nM ΔG°:  -11.9kcal/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
LigandPNGBDBM220415(US9296741, 4)
Affinity DataKi:  2.40nMAssay 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