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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'BRD4 BD1 (aa 42-168)' and Ligand = 'BDBM321344'   
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
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM321344
PNG
(N,N-dimethyl-3-[7-oxo-6-[(E)-pent-2-enyl]-1H-pyrro...)
Show SMILES CC\C=C\Cn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H23N3O2/c1-4-5-6-12-24-14-18(17-10-11-22-19(17)21(24)26)15-8-7-9-16(13-15)20(25)23(2)3/h5-11,13-14,22H,4,12H2,1-3H3/b6-5+
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.70E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair