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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 = 'BDBM321367'   
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))
BDBM321367
PNG
(3-[6-[(E)-but-2-enyl]-7-oxo-1H-pyrrolo[2,3-c]pyrid...)
Show SMILES COc1ccc(cc1-c1cn(C\C=C\C)c(=O)c2[nH]ccc12)C(=O)NCC1CC1
Show InChI InChI=1S/C23H25N3O3/c1-3-4-11-26-14-19(17-9-10-24-21(17)23(26)28)18-12-16(7-8-20(18)29-2)22(27)25-13-15-5-6-15/h3-4,7-10,12,14-15,24H,5-6,11,13H2,1-2H3,(H,25,27)/b4-3+
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.20E+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