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SMILES: Cc1ccnc(c1)-c1nc2ncccc2c(N2CC(C)(C)c3ncc(cc23)N2CCOCC2)c1C

InChI Key: InChIKey=HVXJIWSXBPWKJU-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 124775   
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))
BDBM124775
PNG
(US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...)
Show SMILES Cc1ccnc(c1)-c1nc2ncccc2c(N2CC(C)(C)c3ncc(cc23)N2CCOCC2)c1C
Show InChI InChI=1S/C28H30N6O/c1-18-7-9-29-22(14-18)24-19(2)25(21-6-5-8-30-27(21)32-24)34-17-28(3,4)26-23(34)15-20(16-31-26)33-10-12-35-13-11-33/h5-9,14-16H,10-13,17H2,1-4H3
PDB
MMDB

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KEGG

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PC sid
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Similars

US Patent
2.36n/an/an/an/an/an/a7.0n/a



Amgen Inc.

US Patent


Assay Description
A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...


US Patent US8765940 (2014)


BindingDB Entry DOI: 10.7270/Q2WW7G94
More data for this
Ligand-Target Pair