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BDBM321361 3-[6-[(E)-but-2-enyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]-4-fluoro-benzamide::US10183009, Example 40

SMILES: C\C=C\Cn1cc(-c2cc(ccc2F)C(N)=O)c2cc[nH]c2c1=O

InChI Key: InChIKey=FUXZXMHIFGSHOP-NSCUHMNNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 321361   
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))
BDBM321361
PNG
(3-[6-[(E)-but-2-enyl]-7-oxo-1H-pyrrolo[2,3-c]pyrid...)
Show SMILES C\C=C\Cn1cc(-c2cc(ccc2F)C(N)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C18H16FN3O2/c1-2-3-8-22-10-14(12-6-7-21-16(12)18(22)24)13-9-11(17(20)23)4-5-15(13)19/h2-7,9-10,21H,8H2,1H3,(H2,20,23)/b3-2+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80E+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