BDBM205454 2S+IBET-PEG2 (25)

SMILES COC(=O)CC1N=C(c2ccc(Cl)cc2)c2c(sc(C(=O)NCCOCCOCCNC(=O)Cn3c(=O)n([C@H](C)c4ccccn4)c4c5cc(OC)c(-c6c(C)noc6C)cc5ncc43)c2C)-n2c(C)nnc21

InChI Key InChIKey=XQSIYYHBLOKYON-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 205454   

TargetBromodomain-containing protein 4 [44-168](Human)
Dana-Farber Cancer Institute

LigandChemical structure of BindingDB Monomer ID 205454BDBM205454(2S+IBET-PEG2 (25))
Affinity DataIC50: 5.80nMpH: 7.5 T: 2°CAssay Description:Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2016
Entry Details Article
PubMed
TargetBromodomain testis-specific protein [21-137](Human)
Dana-Farber Cancer Institute

LigandChemical structure of BindingDB Monomer ID 205454BDBM205454(2S+IBET-PEG2 (25))
Affinity DataIC50: 23.2nMpH: 7.5 T: 2°CAssay Description:Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2016
Entry Details Article
PubMed