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BDBM321437 (E)-6-(but-2-en-1-yl)-4-(4-(2-hydroxypropan-2-yl)-2,5-dimethoxyphenyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-7(6H)-one::US10183009, Example 119

SMILES: COc1cc(c(OC)cc1-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12)C(C)(C)O

InChI Key: InChIKey=QVMOJFHRHLLSOT-BQYQJAHWSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 321437   
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
BRD9 (aa 134-239)


(Homo sapiens (Human))
BDBM321437
PNG
((E)-6-(but-2-en-1-yl)-4-(4-(2-hydroxypropan-2-yl)-...)
Show SMILES COc1cc(c(OC)cc1-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12)C(C)(C)O
Show InChI InChI=1S/C23H28N2O4/c1-7-8-9-25-13-17(16-10-14(2)24-21(16)22(25)26)15-11-20(29-6)18(23(3,4)27)12-19(15)28-5/h7-8,10-13,24,27H,9H2,1-6H3/b8-7+
PDB

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the en...


US Patent US10183009 (2019)


BindingDB Entry DOI: 10.7270/Q2125VRQ
More data for this
Ligand-Target Pair