BDBM220739 US9296741, 328

SMILES Cn1cc(-c2cc(CS(C)(=O)=O)ccc2NCC2CC2)c2cc[nH]c2c1=O

InChI Key InChIKey=PANKYEYISTWOJG-UHFFFAOYSA-N

Data  3 KI  1 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 4 hits for monomerid = 220739   

TargetBromodomain-containing protein 4 [57-168](Homo sapiens (Human))
Abbvie

US Patent
LigandPNGBDBM220739(US9296741, 328)
Affinity DataKi:  24.5nM ΔG°:  -10.4kcal/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
LigandPNGBDBM220739(US9296741, 328)
Affinity DataKi:  69nMAssay Description:Binding affinity to His-tagged BRD4 bromodomain 1 to 2 (K57 to K550 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent...More 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
LigandPNGBDBM220739(US9296741, 328)
Affinity DataKi:  79.7nM ΔG°:  -9.68kcal/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
LigandPNGBDBM220739(US9296741, 328)
Affinity DataIC50:  58nMAssay Description:Binding affinity to BRD4 in human H1299 cells stably expressing E2 and HPV16-LCR luciferase reporter incubated for 24 hrs by Bright-Glo luciferase re...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed