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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM125496'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM125496
PNG
(US8772480, 362)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@@H](C)N2CCN(C[C@@H]2C)S(C)(=O)=O)cn1 |r|
Show InChI InChI=1S/C22H30N10O3S/c1-13-12-31(36(5,33)34)6-7-32(13)14(2)16-8-18(20-27-15(3)28-21(23)30-20)19(24-9-16)29-17-10-25-22(35-4)26-11-17/h8-11,13-14H,6-7,12H2,1-5H3,(H,24,29)(H2,23,27,28,30)/t13-,14+/m0/s1
PDB
MMDB

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US Patent
2n/an/an/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair