BDBM220613 US9296741, 202

SMILES CCS(=O)(=O)c1ccc(O[C@H]2CC[C@@H](O)CC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1

InChI Key InChIKey=NBRRDAGQJCKBBQ-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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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 = 220613   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 220613BDBM220613(US9296741, 202)
Affinity DataKi:  1.40nM ΔG°:  -12.1kcal/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
US Patent

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

US Patent
LigandChemical structure of BindingDB Monomer ID 220613BDBM220613(US9296741, 202)
Affinity DataKi:  1.70nM ΔG°:  -12.0kcal/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
US Patent