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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50536989'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50536989
PNG
(CHEMBL4533068)
Show SMILES COCCN(C)c1ccccc1CNc1ccc2nnc(C)n2n1
Show InChI InChI=1S/C17H22N6O/c1-13-19-20-17-9-8-16(21-23(13)17)18-12-14-6-4-5-7-15(14)22(2)10-11-24-3/h4-9H,10-12H2,1-3H3,(H,18,21)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.07E+5n/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) measured after 2 hrs by TR-FRET assay


Eur J Med Chem 165: 258-272 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.010
BindingDB Entry DOI: 10.7270/Q2JS9TZD
More data for this
Ligand-Target Pair