BDBM220611 US9296741, 200

SMILES CCS(=O)(=O)c1ccc(NCC2CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12

InChI Key InChIKey=ZQRYCQNBELIIBM-UHFFFAOYSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 220611   

TargetBromodomain-containing protein 4 [57-168](Homo sapiens (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
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetBromodomain-containing protein 4 [352-457](Homo sapiens (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
Ligand InfoPC cidPC sidPDB