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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 = 'BDBM50443234'   
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))
BDBM50443234
PNG
(CHEMBL3086890)
Show SMILES Oc1ccc(cc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 |w:8.8|
Show InChI InChI=1S/C17H14N4O4S/c22-15-9-6-13(11-16(15)23)20-19-12-4-7-14(8-5-12)26(24,25)21-17-3-1-2-10-18-17/h1-11,22-23H,(H,18,21)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.91E+3n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS574 from recombinant human BRD4 BrD2 after 1 hr by fluorescence anisotropy assay


J Med Chem 56: 9251-64 (2013)


Article DOI: 10.1021/jm401334s
BindingDB Entry DOI: 10.7270/Q2ZW1NCF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50443234
PNG
(CHEMBL3086890)
Show SMILES Oc1ccc(cc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 |w:8.8|
Show InChI InChI=1S/C17H14N4O4S/c22-15-9-6-13(11-16(15)23)20-19-12-4-7-14(8-5-12)26(24,25)21-17-3-1-2-10-18-17/h1-11,22-23H,(H,18,21)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.59E+3n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS574 from recombinant human BRD4 BrD1 after 1 hr by fluorescence anisotropy assay


J Med Chem 56: 9251-64 (2013)


Article DOI: 10.1021/jm401334s
BindingDB Entry DOI: 10.7270/Q2ZW1NCF
More data for this
Ligand-Target Pair