BDBM179460 US9675697, Cpd. No. 17

SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c[nH]c4ccccc34)c21

InChI Key InChIKey=VLGYORZRSHEGRC-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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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 = 179460   

TargetBromodomain-containing protein 2 [364-436](Human)
University of Michigan

US Patent
LigandPNGBDBM179460(US9675697, Cpd. No. 17)
Affinity DataKi: <10nM ΔG°: <-10.9kcal/mole IC50: 142nMpH: 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
In Depth
Date in BDB:
4/16/2018
Entry Details
US Patent

TargetBromodomain-containing protein 4 [368-440](Human)
University of Michigan

US Patent
LigandPNGBDBM179460(US9675697, Cpd. No. 17)
Affinity DataKi:  16nM ΔG°:  -10.6kcal/mole IC50: 197nMpH: 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
In Depth
Date in BDB:
4/16/2018
Entry Details
US Patent