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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 = 'BDBM127455'   
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))
BDBM127455
PNG
(US8791131, 229)
Show SMILES Cn1c2cnc3ccc(nc3c2n([C@H]2CC[C@H](O)CC2)c1=O)-c1cnc(N)nc1 |r,wU:13.14,wD:16.18,(6.65,-1.53,;5.16,-1.13,;4.02,-2.16,;4.02,-3.7,;2.69,-4.47,;1.35,-3.7,;.02,-4.47,;-1.32,-3.7,;-1.32,-2.16,;.02,-1.39,;1.35,-2.16,;2.69,-1.39,;3.01,.12,;1.92,1.2,;.43,.81,;-.66,1.89,;-.26,3.38,;-1.35,4.47,;1.23,3.78,;2.31,2.69,;4.54,.28,;5.31,1.61,;-2.65,-1.39,;-2.65,.15,;-3.98,.92,;-5.32,.15,;-6.65,.92,;-5.32,-1.39,;-3.98,-2.16,)|
Show InChI InChI=1S/C20H21N7O2/c1-26-16-10-22-15-7-6-14(11-8-23-19(21)24-9-11)25-17(15)18(16)27(20(26)29)12-2-4-13(28)5-3-12/h6-10,12-13,28H,2-5H2,1H3,(H2,21,23,24)/t12-,13-
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
0.273 -54.6n/an/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against PI3-Kalpha using an in vitro kinase assay. PI3-Kalpha activity is measured in v...


US Patent US8791131 (2014)


BindingDB Entry DOI: 10.7270/Q23B5XV8
More data for this
Ligand-Target Pair