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BDBM321365 3-[6-[(E)-but-2-enyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]-N-(2,2-difluoroethyl)-4-methoxy-benzamide::US10183009, Example 69

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

InChI Key: InChIKey=KGWUATVBSWXWHY-ONEGZZNKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 321365   
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))
BDBM321365
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)NCC(F)F
Show InChI InChI=1S/C21H21F2N3O3/c1-3-4-9-26-12-16(14-7-8-24-19(14)21(26)28)15-10-13(5-6-17(15)29-2)20(27)25-11-18(22)23/h3-8,10,12,18,24H,9,11H2,1-2H3,(H,25,27)/b4-3+
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 320n/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