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SMILES: Cc1c(nc2ncccc2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)-c1ccccc1

InChI Key: InChIKey=XTDNCMUGAVTARM-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 = 124786   
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))
BDBM124786
PNG
(US8765940, 1'-(3-methyl-2-phenyl-1,8-naphthyri...)
Show SMILES Cc1c(nc2ncccc2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C30H31N5O2/c1-21-26(22-6-3-2-4-7-22)33-29-24(8-5-11-31-29)27(21)35-20-30(9-14-36-15-10-30)28-25(35)18-23(19-32-28)34-12-16-37-17-13-34/h2-8,11,18-19H,9-10,12-17,20H2,1H3
PDB
MMDB

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Similars

US Patent
4.36n/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