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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 = 'BDBM207453'   
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))		BDBM207453
PNG
(US9260439, 337)
Show SMILES C[C@@]1(CCN(C1)C(=O)[C@@H]1CC1(F)F)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C23H28F2N8O2/c1-22(3-5-32(13-22)19(34)16-10-23(16,24)25)33-4-2-15-17(14-11-27-20(26)28-12-14)29-21(30-18(15)33)31-6-8-35-9-7-31/h11-12,16H,2-10,13H2,1H3,(H2,26,27,28)/t16-,22-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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