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BDBM50466282 CHEMBL4294022

SMILES: CN(C)CCN1CCN(CC1)c1nc(N2CCOCC2c2ccccc2)c2cc(ccc2n1)-c1c(C)noc1C

InChI Key: InChIKey=ZIWQTVTUGSSYDC-UHFFFAOYSA-N

Data: 1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50466282   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466282
PNG
(CHEMBL4294022)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(N2CCOCC2c2ccccc2)c2cc(ccc2n1)-c1c(C)noc1C
Show InChI InChI=1S/C31H39N7O2/c1-22-29(23(2)40-34-22)25-10-11-27-26(20-25)30(38-18-19-39-21-28(38)24-8-6-5-7-9-24)33-31(32-27)37-16-14-36(15-17-37)13-12-35(3)4/h5-11,20,28H,12-19,21H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 28n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair