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SMILES: COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1CC1CCOCC1

InChI Key:

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 2 hits for monomerid = 50578809   
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))
BDBM50578809
PNG
(CHEMBL4875479)
Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1CC1CCOCC1 |(35.93,-21.22,;35.15,-19.89,;33.61,-19.89,;32.85,-21.23,;33.47,-22.63,;32.34,-23.66,;32.35,-25.21,;31.02,-25.98,;29.68,-25.21,;28.35,-25.99,;27.02,-25.22,;25.68,-25.99,;24.28,-25.37,;23.96,-23.86,;23.25,-26.51,;24.02,-27.85,;25.52,-27.53,;26.67,-28.56,;27.02,-23.68,;25.68,-22.91,;25.68,-21.37,;28.35,-22.91,;29.68,-23.67,;31.01,-22.9,;31.32,-21.4,;30.29,-20.25,;30.76,-18.79,;32.26,-18.47,;32.74,-17.01,;31.71,-15.87,;30.2,-16.19,;29.72,-17.66,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00855
BindingDB Entry DOI: 10.7270/Q23T9N20
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50578809
PNG
(CHEMBL4875479)
Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1CC1CCOCC1 |(35.93,-21.22,;35.15,-19.89,;33.61,-19.89,;32.85,-21.23,;33.47,-22.63,;32.34,-23.66,;32.35,-25.21,;31.02,-25.98,;29.68,-25.21,;28.35,-25.99,;27.02,-25.22,;25.68,-25.99,;24.28,-25.37,;23.96,-23.86,;23.25,-26.51,;24.02,-27.85,;25.52,-27.53,;26.67,-28.56,;27.02,-23.68,;25.68,-22.91,;25.68,-21.37,;28.35,-22.91,;29.68,-23.67,;31.01,-22.9,;31.32,-21.4,;30.29,-20.25,;30.76,-18.79,;32.26,-18.47,;32.74,-17.01,;31.71,-15.87,;30.2,-16.19,;29.72,-17.66,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 398n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00855
BindingDB Entry DOI: 10.7270/Q23T9N20
More data for this
Ligand-Target Pair