BDBM179476 US9675697, Cpd. No. 34

SMILES COc1cc2c(cc1-c1c(C)n[nH]c1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21

InChI Key InChIKey=QBBUJRPLGKCTAD-UHFFFAOYSA-N

Data  2 KI  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 = 179476   

TargetBromodomain-containing protein 4 [368-440](Homo sapiens (Human))
The Regents of The University of Michigan

US Patent
LigandPNGBDBM179476(US9675697, Cpd. No. 34)
Affinity DataKi:  775nM ΔG°:  -8.33kcal/mole IC50:  3.67E+3nMpH: 7.5 T: 2°CAssay Description:The FAM labeled fluorescent probe (BRD-1F) was synthesized based on a known small-molecule BET bromodomain inhibitor. Kd values of BRD-1F to these th...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBromodomain-containing protein 2 [364-436](Homo sapiens (Human))
The Regents of The University of Michigan

US Patent
LigandPNGBDBM179476(US9675697, Cpd. No. 34)
Affinity DataKi:  1.20E+3nM ΔG°:  -8.07kcal/mole IC50:  3.20E+3nMpH: 7.5 T: 2°CAssay Description:The FAM labeled fluorescent probe (BRD-1F) was synthesized based on a known small-molecule BET bromodomain inhibitor. Kd values of BRD-1F to these th...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent