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BDBM321364 3-[6-[(E)-but-2-enyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]-4-methoxy-N-tetrahydrofuran-3-yl-benzamide::US10183009, Example 65

SMILES: COc1ccc(cc1-c1cn(C\C=C\C)c(=O)c2[nH]ccc12)C(=O)NC1CCOC1

InChI Key: InChIKey=KQDGCRKSNBENLP-ONEGZZNKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 321364   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM321364
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)NC1CCOC1
Show InChI InChI=1S/C23H25N3O4/c1-3-4-10-26-13-19(17-7-9-24-21(17)23(26)28)18-12-15(5-6-20(18)29-2)22(27)25-16-8-11-30-14-16/h3-7,9,12-13,16,24H,8,10-11,14H2,1-2H3,(H,25,27)/b4-3+
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.60E+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