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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 = 'BDBM321357'   
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))
BDBM321357
PNG
(3-(6-but-2-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...)
Show SMILES CC=CCn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4-10,12-13,21H,11H2,1-3H3/b5-4+
PDB

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US Patent
n/an/a 330n/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
3D
3D Structure (crystal)