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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 = 'BDBM50508316'   
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))
BDBM50508316
PNG
(CHEMBL4457320)
Show SMILES Cc1noc(C)c1-c1cc(c2cc(N3CCCC3)c(=O)[nH]c2c1)S(=O)(=O)NC1CCCC1
Show InChI InChI=1S/C23H28N4O4S/c1-14-22(15(2)31-25-14)16-11-19-18(13-20(23(28)24-19)27-9-5-6-10-27)21(12-16)32(29,30)26-17-7-3-4-8-17/h11-13,17,26H,3-10H2,1-2H3,(H,24,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 342n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotin-labelled tetra-acetylated Histone H4 peptide binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 br...


Bioorg Med Chem 27: 457-469 (2019)


Article DOI: 10.1016/j.bmc.2018.11.020
BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50508316
PNG
(CHEMBL4457320)
Show SMILES Cc1noc(C)c1-c1cc(c2cc(N3CCCC3)c(=O)[nH]c2c1)S(=O)(=O)NC1CCCC1
Show InChI InChI=1S/C23H28N4O4S/c1-14-22(15(2)31-25-14)16-11-19-18(13-20(23(28)24-19)27-9-5-6-10-27)21(12-16)32(29,30)26-17-7-3-4-8-17/h11-13,17,26H,3-10H2,1-2H3,(H,24,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotin-labelled tetra-acetylated Histone H4 peptide binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 br...


Bioorg Med Chem 27: 457-469 (2019)


Article DOI: 10.1016/j.bmc.2018.11.020
BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
More data for this
Ligand-Target Pair