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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 = 'BDBM50156118'   
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))
BDBM50156118
PNG
(CHEMBL3785327)
Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(=O)[nH]c2c1 |(2.99,-4.33,;2.74,-5.54,;3.77,-6.69,;3,-8.03,;1.49,-7.71,;.57,-8.53,;1.35,-6.18,;.01,-5.41,;.02,-3.87,;-1.33,-3.08,;-1.33,-1.54,;-2.69,-.77,;-3.75,-1.39,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-2.66,-3.87,;-4.12,-3.39,;-5.03,-4.65,;-6.26,-4.65,;-4.13,-5.87,;-2.67,-5.4,;-1.34,-6.19,)|
Show InChI InChI=1S/C22H18N4O2/c1-11-6-7-17-15(5-4-8-23-17)19(11)16-9-14(20-12(2)26-28-13(20)3)10-18-21(16)25-22(27)24-18/h4-10H,1-3H3,(H2,24,25,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<14n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated tetra-acetylated histone H4 from his-tagged BRD4 bromodomain1 (unknown origin) incubated for 60 mins by Alphascreen assa...


J Med Chem 59: 1271-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01514
BindingDB Entry DOI: 10.7270/Q2X92D6H
More data for this
Ligand-Target Pair