BDBM50260066 CHEMBL4067346::US9957263, Example 4

SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1CN1CCOCC1)-c1cn(C)c(=O)c2[nH]ccc12

InChI Key InChIKey=ZSGRXPZLDFWJRG-UHFFFAOYSA-N

Data  4 KI

  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 = 50260066   

TargetBromodomain-containing protein 4(Homo sapiens (Human))
Abbvie

US Patent
LigandPNGBDBM50260066(CHEMBL4067346 | US9957263, Example 4)
Affinity DataKi:  1.70nMAssay Description:Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Abbvie

US Patent
LigandPNGBDBM50260066(CHEMBL4067346 | US9957263, Example 4)
Affinity DataKi:  1.70nMAssay Description:Inhibition of 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 DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Abbvie

US Patent
LigandPNGBDBM50260066(CHEMBL4067346 | US9957263, Example 4)
Affinity DataKi:  11nMAssay Description:Inhibition of 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 DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Abbvie

US Patent
LigandPNGBDBM50260066(CHEMBL4067346 | US9957263, Example 4)
Affinity DataKi:  11nMAssay Description:Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...More data for this Ligand-Target Pair
In DepthDetails US Patent