BDBM220611 US9296741, 200

SMILES CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)NCC4CC4

InChI Key InChIKey=ZQRYCQNBELIIBM-UHFFFAOYSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

  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 2 hits for monomerid = 220611   

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

US Patent
LigandPNGBDBM220611(US9296741, 200)
Affinity DataKi:  0.860nM ΔG°:  -12.4kcal/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
In Depth
Date in BDB:
4/3/2017
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM220611(US9296741, 200)
Affinity DataKi:  1.10nM ΔG°:  -12.2kcal/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)