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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 = 'BDBM50508320'   
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))
BDBM50508320
PNG
(CHEMBL4534568)
Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2nc([nH]c2c1)C1CC1 |(10.45,-37.7,;8.98,-37.23,;8.5,-35.76,;6.96,-35.77,;6.49,-37.23,;5.03,-37.72,;7.75,-38.13,;7.75,-39.67,;9.09,-40.43,;9.09,-41.98,;10.43,-42.76,;10.43,-44.29,;9.18,-45.2,;11.89,-44.77,;12.79,-43.52,;11.89,-42.28,;12.36,-40.82,;7.75,-42.76,;7.44,-44.26,;5.91,-44.43,;5.28,-43.02,;6.42,-41.99,;6.42,-40.44,;5.14,-45.76,;3.82,-46.54,;5.15,-47.3,)|
Show InChI InChI=1S/C20H20N4O2/c1-9-17(11(3)25-23-9)14-7-15(18-10(2)24-26-12(18)4)19-16(8-14)21-20(22-19)13-5-6-13/h7-8,13H,5-6H2,1-4H3,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 148n/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))
BDBM50508320
PNG
(CHEMBL4534568)
Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2nc([nH]c2c1)C1CC1 |(10.45,-37.7,;8.98,-37.23,;8.5,-35.76,;6.96,-35.77,;6.49,-37.23,;5.03,-37.72,;7.75,-38.13,;7.75,-39.67,;9.09,-40.43,;9.09,-41.98,;10.43,-42.76,;10.43,-44.29,;9.18,-45.2,;11.89,-44.77,;12.79,-43.52,;11.89,-42.28,;12.36,-40.82,;7.75,-42.76,;7.44,-44.26,;5.91,-44.43,;5.28,-43.02,;6.42,-41.99,;6.42,-40.44,;5.14,-45.76,;3.82,-46.54,;5.15,-47.3,)|
Show InChI InChI=1S/C20H20N4O2/c1-9-17(11(3)25-23-9)14-7-15(18-10(2)24-26-12(18)4)19-16(8-14)21-20(22-19)13-5-6-13/h7-8,13H,5-6H2,1-4H3,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 219n/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