BDBM245884 US9428514, 72

SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(CC1CC1)S(=O)(=O)CC

InChI Key InChIKey=DHWSZNUWEBHWKM-UHFFFAOYSA-N

Data  2 KI  2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 245884   

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

US Patent
LigandPNGBDBM245884(US9428514, 72)
Affinity DataKi:  2.28nM ΔG°:  -11.8kcal/molepH: 6.0 T: 2°CAssay Description:Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2017
Entry Details
US Patent

TargetBromodomain-containing protein 4(Human)
University of Texas Medical Branch

Curated by ChEMBL
LigandPNGBDBM245884(US9428514, 72)
Affinity DataIC50: 2.30nMAssay Description:Inhibition of recombinant His-tagged BRD4 bromodomain 2 (E352 to E168 residues) (unknown origin) after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/10/2020
Entry Details Article
PubMed
TargetBromodomain-containing protein 4 [57-168](Human)
Abbvie

US Patent
LigandPNGBDBM245884(US9428514, 72)
Affinity DataKi:  60.9nM ΔG°:  -9.84kcal/molepH: 6.0 T: 2°CAssay Description:Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2017
Entry Details
US Patent

TargetBromodomain-containing protein 4(Human)
University of Texas Medical Branch

Curated by ChEMBL
LigandPNGBDBM245884(US9428514, 72)
Affinity DataIC50: 61nMAssay Description:Inhibition of recombinant His-tagged BRD4 bromodomain 1 (K57 to E168 residues) (unknown origin) after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/10/2020
Entry Details Article
PubMed