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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50183453'   
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))
BDBM50183453
PNG
(CHEMBL3824312)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cncnc12
Show InChI InChI=1S/C19H22N4O3/c1-22(2)9-15-16(25-4)6-12(7-17(15)26-5)14-10-23(3)19(24)13-8-20-11-21-18(13)14/h6-8,10-11H,9H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD4-BD1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScr...


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50183453
PNG
(CHEMBL3824312)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cncnc12
Show InChI InChI=1S/C19H22N4O3/c1-22(2)9-15-16(25-4)6-12(7-17(15)26-5)14-10-23(3)19(24)13-8-20-11-21-18(13)14/h6-8,10-11H,9H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD4-BD2 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScr...


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair