BDBM331379 4-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2::US9725449, Example 213::US9725449, Example 218

SMILES CC1CN(CCS1(=O)=O)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C

InChI Key InChIKey=SXMMLEYKUXOANE-DPEBFZNWSA-N

Data  2 IC50

  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 2 hits for monomerid = 331379   

TargetBromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460](Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM331379(4-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxan-...)
Affinity DataIC50: <1nMAssay Description:The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460](Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM331379(4-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxan-...)
Affinity DataIC50: <1nMAssay Description:The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent