BDBM220663 US9296741, 252

SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc([nH]c2c1=O)C(N)=O

InChI Key InChIKey=PMFAAQHHEWEOPY-UHFFFAOYSA-N

Data  4 KI

  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 = 220663   

TargetBromodomain-containing protein 4(Homo sapiens (Human))
Abbvie

Curated by ChEMBL
LigandPNGBDBM220663(US9296741, 252)
Affinity DataKi:  1.20nMAssay Description:Inhibition of human N-terminal His6 tagged BRD4 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4 [352-457](Homo sapiens (Human))
Abbvie

US Patent
LigandPNGBDBM220663(US9296741, 252)
Affinity DataKi:  1.70nM ΔG°:  -12.0kcal/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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Abbvie

Curated by ChEMBL
LigandPNGBDBM220663(US9296741, 252)
Affinity DataKi:  8.60nMAssay Description:Inhibition of human N-terminal His6 tagged BRD4 BD1 (57 to 168) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4 [57-168](Homo sapiens (Human))
Abbvie

US Patent
LigandPNGBDBM220663(US9296741, 252)
Affinity DataKi:  10.1nM ΔG°:  -10.9kcal/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
Ligand InfoPC cidPC sid
In DepthDetails US Patent