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SMILES: CN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccccc1O)C(O)=O

InChI Key: InChIKey=CBTQOPGUVUVLOC-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 109322   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109322
PNG
(US8609666, 42)
Show SMILES CN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccccc1O)C(O)=O
Show InChI InChI=1S/C20H21N5O4/c1-24(2)14-11-13(19(27)28)21-18-16(12-5-3-4-6-15(12)26)22-20(23-17(14)18)25-7-9-29-10-8-25/h3-6,11,26H,7-10H2,1-2H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC sid
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Similars

US Patent
n/an/a 23n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair