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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM207415'   
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 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM207415
PNG
(US9260439, 299)
Show SMILES CN(C)CC(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C23H33N9O2/c1-23(5-7-31(15-23)18(33)14-29(2)3)32-6-4-17-19(16-12-25-21(24)26-13-16)27-22(28-20(17)32)30-8-10-34-11-9-30/h12-13H,4-11,14-15H2,1-3H3,(H2,24,25,26)/t23-/m0/s1
PDB

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UniChem
US Patent
<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone...

US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair