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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50365263'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365263
PNG
(CHEMBL1958337)
Show SMILES CN1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C17H14ClN5/c1-11-19-20-17-22(2)21-16(12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)23(11)17/h3-10H,1-2H3
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n/an/an/a 640n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to BRD4-BD1 by isothermal titration calorimetry


Bioorg Med Chem 20: 1878-86 (2012)


Article DOI: 10.1016/j.bmc.2011.10.080
BindingDB Entry DOI: 10.7270/Q2NC61PZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)