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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 = 'BDBM50466283'   
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))
BDBM50466283
PNG
(CHEMBL4278881)
Show SMILES Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C21H18ClN3O2/c1-12-21(13(2)27-25-12)15-6-7-18-17(9-15)19(10-20(26)24-18)23-11-14-4-3-5-16(22)8-14/h3-10H,11H2,1-2H3,(H2,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

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


TBA



Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50466283
PNG
(CHEMBL4278881)
Show SMILES Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C21H18ClN3O2/c1-12-21(13(2)27-25-12)15-6-7-18-17(9-15)19(10-20(26)24-18)23-11-14-4-3-5-16(22)8-14/h3-10H,11H2,1-2H3,(H2,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 55n/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