BDBM220740 US9296741, 329

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

InChI Key InChIKey=GOKKCJVNYOPUCZ-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 = 220740   

TargetBromodomain-containing protein 4(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM220740(US9296741, 329)
Affinity DataIC50: 20nMAssay 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
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetBromodomain-containing protein 4 [57-168](Human)
Abbvie

US Patent
LigandPNGBDBM220740(US9296741, 329)
Affinity DataKi:  8.90nM ΔG°:  -11.0kcal/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
In Depth
Date in BDB:
4/3/2017
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM220740(US9296741, 329)
Affinity DataKi:  12.6nM ΔG°:  -10.8kcal/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(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM220740(US9296741, 329)
Affinity DataKi:  13nMAssay 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
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed