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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 = 'BDBM50250974'   
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))
BDBM50250974
PNG
(CHEMBL4098530)
Show SMILES O=c1[nH]c(nc2sc3CCCc3c12)-c1ccccc1
Show InChI InChI=1S/C15H12N2OS/c18-14-12-10-7-4-8-11(10)19-15(12)17-13(16-14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,16,17,18)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University and Collaborative Innovation Center of Biotherapy

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged BRD4 bromodomain (unknown origin) using biotinylated histone H4KAc peptide (1 to 21 residues) as substrate by HTRF assay


J Med Chem 63: 3678-3700 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02178
BindingDB Entry DOI: 10.7270/Q27W6GHJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250974
PNG
(CHEMBL4098530)
Show SMILES O=c1[nH]c(nc2sc3CCCc3c12)-c1ccccc1
Show InChI InChI=1S/C15H12N2OS/c18-14-12-10-7-4-8-11(10)19-15(12)17-13(16-14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,16,17,18)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...


J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair