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Target
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Compile Data Set for Download or QSAR
Found
6
hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50353589'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Bromodomain-containing protein 4
(Homo sapiens (Human))
BDBM50353589
(CHEMBL1828979)
Show SMILES
Cc1noc(C)c1-c1ccccc1
Show InChI
InChI=1S/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
800
n/a
n/a
n/a
n/a
n/a
n/a
Chinese Academy of Sciences
Curated by
ChEMBL
Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...
J Med Chem
56:
3833
-
51
(2013)
Article DOI:
10.1021/jm301793a
BindingDB Entry DOI:
10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4
(Homo sapiens (Human))
BDBM50353589
(CHEMBL1828979)
Show SMILES
Cc1noc(C)c1-c1ccccc1
Show InChI
InChI=1S/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
5.01E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI:
10.7270/Q2QN6BWR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4
(Homo sapiens (Human))
BDBM50353589
(CHEMBL1828979)
Show SMILES
Cc1noc(C)c1-c1ccccc1
Show InChI
InChI=1S/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
6.50E+4
n/a
n/a
n/a
n/a
n/a
n/a
Dana-Farber Institute
Curated by
ChEMBL
Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay
J Med Chem
57:
9019
-
27
(2014)
Article DOI:
10.1021/jm501120z
BindingDB Entry DOI:
10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4
(Homo sapiens (Human))
BDBM50353589
(CHEMBL1828979)
Show SMILES
Cc1noc(C)c1-c1ccccc1
Show InChI
InChI=1S/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
8.42E+4
n/a
n/a
n/a
n/a
n/a
n/a
University of Oxford
Curated by
ChEMBL
Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD4 by peptide displacement assay
J Med Chem
54:
6761
-
70
(2011)
Article DOI:
10.1021/jm200640v
BindingDB Entry DOI:
10.7270/Q2RV0P3P
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4
(Homo sapiens (Human))
BDBM50353589
(CHEMBL1828979)
Show SMILES
Cc1noc(C)c1-c1ccccc1
Show InChI
InChI=1S/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
1.58E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI:
10.7270/Q2QN6BWR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4
(Homo sapiens (Human))
BDBM50353589
(CHEMBL1828979)
Show SMILES
Cc1noc(C)c1-c1ccccc1
Show InChI
InChI=1S/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
n/a
50
n/a
n/a
n/a
n/a
n/a
Chinese Academy of Sciences
Curated by
ChEMBL
Assay Description
Binding affinity to human His-tagged bromodomain BRD4(1) by isothermal titration calorimetry
J Med Chem
56:
3833
-
51
(2013)
Article DOI:
10.1021/jm301793a
BindingDB Entry DOI:
10.7270/Q2P55PVX
More data for this
Ligand-Target Pair