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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50273645'   
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))
BDBM50273645
PNG
(CHEMBL4129171)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1cccnc1
Show InChI InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 166n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50273645
PNG
(CHEMBL4129171)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1cccnc1
Show InChI InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 166n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50273645
PNG
(CHEMBL4129171)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1cccnc1
Show InChI InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/an/a 247n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by isothermal titration calorimetric...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair